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Structure & Deep Data of SULFALENE (C11H12N4O3S)

Identification of SULFALENE Chemical Compound

2D chemical structure image of SULFALENE
Chemical Formula C11H12N4O3S
Molecular Weight 280.30298 g/mol
IUPAC Name 4-amino-N-(3-methoxypyrazin-2-yl)benzene-1-sulfonamide
SMILES String COc1nccnc1NS(=O)(=O)c2ccc(N)cc2
InChI InChI=1S/C11H12N4O3S/c1-18-11-10(13-6-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)
InChIKey KXRZBTAEDBELFD-UHFFFAOYSA-N

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The SULFALENE molecule contains a total of 32 bond(s). There are 20 non-H bond(s), 14 multiple bond(s), 4 rotatable bond(s), 2 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 primary amine(s) (aromatic), 1 ether(s) (aromatic), and 1 sulfonamide(s) (thio-/dithio-). Images of the chemical structure of SULFALENE are given below:

2D chemical structure image of SULFALENE
2-dimensional (2D) chemical structure image of SULFALENE
3D chemical structure image of SULFALENE
3-dimensional (3D) chemical structure image of SULFALENE

The 2D chemical structure image of SULFALENE is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of SULFALENE are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of SULFALENE is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of SULFALENE. Download structure data file (SDF/MOL) file of this compound.


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Interactive 3D Visualization

For a better understanding of the chemical structure, an interactive 3D visualization of SULFALENE is provided here.

The SULFALENE molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the SULFALENE molecule can be increased or decreased by scrolling the mouse wheel.

The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of SULFALENE can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.


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  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

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Additional Information for Identifying SULFALENE Molecule

  • SMILES (Simplified Molecular-Input Line-Entry System) string of SULFALENE

    The SMILES string of SULFALENE is COc1nccnc1NS(=O)(=O)c2ccc(N)cc2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the SULFALENE.

  • Structure Data File (SDF/MOL File) of SULFALENE

    The structure data file (SDF/MOL File) of SULFALENE is available for download in the SDF page of SULFALENE, which provides the information about the atoms, bonds, connectivity and coordinates of SULFALENE. The SULFALENE structure data file can be imported to most of the cheminformatics software systems and applications.

  • Chemical formula of SULFALENE

    The molecular formula of SULFALENE is available in chemical formula page of SULFALENE, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

  • Molecular weight of SULFALENE

    The molecular weight of SULFALENE is available in molecular weight page of SULFALENE, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

  • Other names (synonyms) or registry numbers of SULFALENE

    The SULFALENE compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of SULFALENE including the various registry numbers, if available:

    • C-17633
    • EN300-124886
    • ZX-AS004379
    • BBC/162
    • SMP
    • Z277559098
    • 4-azanyl-N-(3-methoxypyrazin-2-yl)benzenesulfonamide
    • SR-01000817374-3
    • Q-201763
    • A809315
    • Z-0856
    • Sulfalene;Sulfamethoxypyrazine;Sulfametopyrazine
    • Sulfanilamide, N1-(3-methoxy-2-pyrazinyl)-
    • S0917
    • O954
    • N-(3-Methoxypyrazin-2-yl)sulfanilamide
    • CCG-112228
    • MFCD00437754
    • SMSF0004129
    • HMS3604L11
    • HMS2866D06
    • T6BL4ZC15G
    • Bifidobacterium longum
    • sulphamethopyrazine
    • Policydal
    • Vetkelfizina
    • [(4-aminophenyl)sulfonyl](3-methoxypyrazin-2-yl)amine
    • CAS-152-47-6
    • 5175-55-3
    • 4-Amino-N-(3-methoxy-pyrazin-2-yl)-benzenesulfonamide
    • 4-Amino-N-(3-methoxy-2-pyrazinyl)-benzenesulfonamide
    • 4-Amino-N-(3-methoxypyrazinyl)-benzenesulfonamide
    • Sulfanilamide, N1-(3-methoxypyrazinyl)- (8CI)
    • D01216
    • BIM-0013167.P001
    • 4-amino-N-(3-methoxy-2-pyrazinyl)benzenesulfonamide
    • Bio-0403
    • ARONIS23883
    • Sulfamethopyrazine (JAN)
    • N(sup 1)-(3-Methoxypyrazinyl)sulfanilamide
    • Sulfanilamide, N(sup 1)-(3-methoxy-2-pyrazinyl)-
    • Sulfanilamide, N1-(3-methoxypyrazinyl)-
    • N1-(3-Methoxy-2-pyrazinyl)sulfanilamide
    • WR 4629
    • Sulfanilamide, N(sup 1)-(3-methoxypyrazinyl)-
    • N(sup 1)-(3-Methoxy-2-pyrazinyl)sulfanilamide
    • FI 5978
    • Sulfalene (USAN)
    • Sulfapyrazinmethoxine
    • Sulfamethoxysuccinate
    • N(sup1)-(3-Methoxy-2-pyrazinyl)sulfanilamide
    • Kelfizina (TN)
    • Benzenesulfonamide, 4-amino-N-(3-methoxypyrazinyl)-
    • N(sup1)-(3-Methoxypyrazinyl)sulfanilamide
    • Sulphametopyrazine
    • Sulfanilamide, N'-(3-methoxypyrazinyl)-
    • 4-Amino-N-(3-methoxypyrazinyl)benzenesulfonamide
    • Sulphalene
    • 2-Sulfanilamide 3-methoxy-pyrazine
    • AS 18908
    • 2-(p-Aminobenzenesulfonamido)-3-methoxypyrazine
    • 2-(p-Aminobenzenesulfanamide)-3-methoxypyrazine
    • Sulfametoxypyridazin
    • Pyrazine, 2-sulfanilamido-3-methoxy-
    • F.I. 5978
    • N1-(3-Methoxypyrazinyl)sulfanilamide
    • Sulfaleno [INN-Spanish]
    • Solfametopirazina [DCIT]
    • Sulfalenum [INN-Latin]
    • Sulfalene [USAN:INN]
    • 2-Methoxy-3-sulfanilamidopyrazine
    • Solfametopirazina
    • 3-Methoxypyrazine sulfanilamide
    • Farmitalia 204/122
    • 3-Methoxy-2-sulfanilamidopyrazine
    • 2-Sulfanilamido-3-methoxypyrazine
    • Sulfaleno
    • 3-Methoxy-2-sulfapyrazine
    • SMP2
    • Sulfalenum
    • 4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide
    • Kelfizine W
    • Sulfapyrazinemethoxyine
    • Longum
    • Dalysep
    • Polycidal
    • Kelfizine
    • Sulfapyrazinemethoxine
    • Sulfamethopyrazine
    • Sulfametopyrazine
    • 152-47-6
    • Sulfalen
    • Sulfamethoxypyrazine
    • SULFALENE
    • Sulfapyrazinemethoxyne
    • Kelfizina
    • Kelfizin

SULFALENE Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of SULFALENE?
C11H12N4O3S
How many atoms and what are the elements included the SULFALENE molecule?
31 atom(s) - 12 Hydrogen atom(s), 11 Carbon atom(s), 4 Nitrogen atom(s), 3 Oxygen atom(s), and 1 Sulfur atom(s)
How many chemical bonds and what kind of bonds are included the SULFALENE structure?
32 bond(s) - 20 non-H bond(s), 14 multiple bond(s), 4 rotatable bond(s), 2 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 primary amine(s) (aromatic), 1 ether(s) (aromatic), and 1 sulfonamide(s) (thio-/dithio-)
What’s the SULFALENE’s molecular weight?
280.30298 g/mol
What’s the SMILES code of SULFALENE?
COc1nccnc1NS(=O)(=O)c2ccc(N)cc2
What’s the InChI string of SULFALENE?
InChI=1S/C11H12N4O3S/c1-18-11-10(13-6-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)
What’s the InChIKey code of SULFALENE?
KXRZBTAEDBELFD-UHFFFAOYSA-N

1192 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).

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