3-amino-N-methyl-4-pyrazin-2-ylsulfanylbenzenesulfonamide

C11H12N4O2S2 — CID 63380836

IUPAC3-amino-N-methyl-4-pyrazin-2-ylsulfanylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Sc2cnccn2)c(N)c1
InChIInChI=1S/C11H12N4O2S2/c1-13-19(16,17)8-2-3-10(9(12)6-8)18-11-7-14-4-5-15-11/h2-7,13H,12H2,1H3
InChIKeyZPFQZBUKVIXDOO-UHFFFAOYSA-N
MW296.38 g/mol
LogP1.12
Rot. Bonds4

About 3-amino-N-methyl-4-pyrazin-2-ylsulfanylbenzenesulfonamide

3-amino-N-methyl-4-pyrazin-2-ylsulfanylbenzenesulfonamide (PubChem CID 63380836) has the molecular formula C11H12N4O2S2 and a molecular weight of 296.38 g/mol. Its IUPAC name is 3-amino-N-methyl-4-pyrazin-2-ylsulfanylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-methyl-4-pyrazin-2-ylsulfanylbenzenesulfonamide
PubChem CID63380836
Molecular FormulaC11H12N4O2S2
Molecular Weight296.38 g/mol
Exact Mass296.04
IUPAC Name3-amino-N-methyl-4-pyrazin-2-ylsulfanylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Sc2cnccn2)c(N)c1
InChIInChI=1S/C11H12N4O2S2/c1-13-19(16,17)8-2-3-10(9(12)6-8)18-11-7-14-4-5-15-11/h2-7,13H,12H2,1H3
InChIKeyZPFQZBUKVIXDOO-UHFFFAOYSA-N
XLogP1.12
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-methyl-4-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzenesulfonamide
CID 135952294
3-amino-4-(2,4-difluorophenyl)sulfanyl-N-methylbenzenesulfonamide
CID 43449360
3-amino-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-methylbenzenesulfonamide
CID 62409165
4-amino-3-[(5-bromo-2-pyridinyl)sulfanyl]-N-methylbenzenesulfonamide
CID 82900982
3-amino-4-pyrimidin-4-ylsulfanylbenzenesulfonamide
CID 63698145
3-amino-N-methyl-4-methylsulfonylbenzenesulfonamide
CID 67169234
3-amino-4-fluoro-N-pyrazin-2-ylbenzenesulfonamide
CID 43616050
4-amino-N-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)benzenesulfonamide
CID 82900761
4-amino-N-methyl-3-propan-2-ylsulfanylbenzenesulfonamide
CID 82901190
5-bromo-4-fluoro-2-pyrazin-2-ylsulfanylaniline
CID 66110599
N-[(5-chloro-2-pyrazin-2-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine
CID 114864659
3-amino-N-methyl-4-(pyridin-4-ylmethylamino)benzenesulfonamide
CID 43449150

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-4-pyrazin-2-ylsulfanylbenzenesulfonamide?
The IUPAC name of 3-amino-N-methyl-4-pyrazin-2-ylsulfanylbenzenesulfonamide (CID 63380836) is 3-amino-N-methyl-4-pyrazin-2-ylsulfanylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-methyl-4-pyrazin-2-ylsulfanylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-methyl-4-pyrazin-2-ylsulfanylbenzenesulfonamide is CNS(=O)(=O)c1ccc(Sc2cnccn2)c(N)c1.
What is the InChIKey of 3-amino-N-methyl-4-pyrazin-2-ylsulfanylbenzenesulfonamide?
The InChIKey is ZPFQZBUKVIXDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S2/c1-13-19(16,17)8-2-3-10(9(12)6-8)18-11-7-14-4-5-15-11/h2-7,13H,12H2,1H3.
What are the key properties of 3-amino-N-methyl-4-pyrazin-2-ylsulfanylbenzenesulfonamide?
3-amino-N-methyl-4-pyrazin-2-ylsulfanylbenzenesulfonamide has a molecular weight of 296.38 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-4-pyrazin-2-ylsulfanylbenzenesulfonamide is sourced from PubChem (CID 63380836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).