2-(3-methylsulfanylanilino)pyridine-3-sulfonamide

C12H13N3O2S2 — CID 53151377

IUPAC2-(3-methylsulfanylanilino)pyridine-3-sulfonamide
SMILESCSc1cccc(Nc2ncccc2S(N)(=O)=O)c1
InChIInChI=1S/C12H13N3O2S2/c1-18-10-5-2-4-9(8-10)15-12-11(19(13,16)17)6-3-7-14-12/h2-8H,1H3,(H,14,15)(H2,13,16,17)
InChIKeyZQYHRWKDHBOXLL-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.19
Rot. Bonds4

About 2-(3-methylsulfanylanilino)pyridine-3-sulfonamide

2-(3-methylsulfanylanilino)pyridine-3-sulfonamide (PubChem CID 53151377) has the molecular formula C12H13N3O2S2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-(3-methylsulfanylanilino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(3-methylsulfanylanilino)pyridine-3-sulfonamide
PubChem CID53151377
Molecular FormulaC12H13N3O2S2
Molecular Weight295.39 g/mol
Exact Mass295.04
IUPAC Name2-(3-methylsulfanylanilino)pyridine-3-sulfonamide
SMILESCSc1cccc(Nc2ncccc2S(N)(=O)=O)c1
InChIInChI=1S/C12H13N3O2S2/c1-18-10-5-2-4-9(8-10)15-12-11(19(13,16)17)6-3-7-14-12/h2-8H,1H3,(H,14,15)(H2,13,16,17)
InChIKeyZQYHRWKDHBOXLL-UHFFFAOYSA-N
XLogP2.19
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3-methylsulfanylanilino)pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chloro-4-fluoroanilino)pyridine-3-sulfonamide
CID 53151387
2-(3-chloro-4-methylanilino)pyridine-3-sulfonamide
CID 53151390
2-(4-methylsulfonylanilino)pyridine-3-sulfonamide
CID 53151392
1-N-(3-methylsulfanylphenyl)-3-methylsulfonylbenzene-1,2-diamine
CID 82003729
3-(dimethylamino)propyl 2-(3-methylsulfanylanilino)pyridine-3-carboxylate
CID 3058616
6-methyl-2-N-(3-methylsulfanylphenyl)pyridine-2,3-diamine
CID 79020854
6-N-(3-methylsulfanylphenyl)quinoline-5,6-diamine
CID 43809585
N-(3-methylsulfanylphenyl)-2-(propylamino)pyridine-3-carboxamide
CID 62185086
2-[[2-(3-fluorophenyl)-2-methylpropyl]amino]pyridine-3-sulfonamide
CID 133308376
5-chloro-4-(3-methylsulfanylanilino)-1H-pyrimidin-6-one
CID 136970486
5-fluoro-2-N,4-N-bis(3-methylsulfanylphenyl)pyrimidine-2,4-diamine
CID 1284769
8-N-(3-methylsulfanylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80769099

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfanylanilino)pyridine-3-sulfonamide?
The IUPAC name of 2-(3-methylsulfanylanilino)pyridine-3-sulfonamide (CID 53151377) is 2-(3-methylsulfanylanilino)pyridine-3-sulfonamide.
What is the SMILES notation for 2-(3-methylsulfanylanilino)pyridine-3-sulfonamide?
The canonical SMILES for 2-(3-methylsulfanylanilino)pyridine-3-sulfonamide is CSc1cccc(Nc2ncccc2S(N)(=O)=O)c1.
What is the InChIKey of 2-(3-methylsulfanylanilino)pyridine-3-sulfonamide?
The InChIKey is ZQYHRWKDHBOXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S2/c1-18-10-5-2-4-9(8-10)15-12-11(19(13,16)17)6-3-7-14-12/h2-8H,1H3,(H,14,15)(H2,13,16,17).
What are the key properties of 2-(3-methylsulfanylanilino)pyridine-3-sulfonamide?
2-(3-methylsulfanylanilino)pyridine-3-sulfonamide has a molecular weight of 295.39 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfanylanilino)pyridine-3-sulfonamide is sourced from PubChem (CID 53151377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).