6-[(4-methylsulfanylphenyl)sulfamoyl]pyridine-3-carboxylic acid

C13H12N2O4S2 — CID 63872781

IUPAC6-[(4-methylsulfanylphenyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESCSc1ccc(NS(=O)(=O)c2ccc(C(=O)O)cn2)cc1
InChIInChI=1S/C13H12N2O4S2/c1-20-11-5-3-10(4-6-11)15-21(18,19)12-7-2-9(8-14-12)13(16)17/h2-8,15H,1H3,(H,16,17)
InChIKeyUBLYHMUMEORDTD-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.30
Rot. Bonds5

About 6-[(4-methylsulfanylphenyl)sulfamoyl]pyridine-3-carboxylic acid

6-[(4-methylsulfanylphenyl)sulfamoyl]pyridine-3-carboxylic acid (PubChem CID 63872781) has the molecular formula C13H12N2O4S2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 6-[(4-methylsulfanylphenyl)sulfamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(4-methylsulfanylphenyl)sulfamoyl]pyridine-3-carboxylic acid
PubChem CID63872781
Molecular FormulaC13H12N2O4S2
Molecular Weight324.38 g/mol
Exact Mass324.02
IUPAC Name6-[(4-methylsulfanylphenyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESCSc1ccc(NS(=O)(=O)c2ccc(C(=O)O)cn2)cc1
InChIInChI=1S/C13H12N2O4S2/c1-20-11-5-3-10(4-6-11)15-21(18,19)12-7-2-9(8-14-12)13(16)17/h2-8,15H,1H3,(H,16,17)
InChIKeyUBLYHMUMEORDTD-UHFFFAOYSA-N
XLogP2.30
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[(4-methylsulfanylphenyl)sulfamoyl]pyridine-3-carboxylic acid 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

6-[(3-fluoro-4-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63873343
6-[(3-fluoro-4-hydroxyphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 64782041
6-[(1-ethylpyrazol-4-yl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872227
6-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]pyridine-3-carboxylic acid
CID 113433482
6-[(3-fluoro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63873772
6-[[(2R)-2-hydroxypropyl]sulfamoyl]pyridine-3-carboxylic acid
CID 98574061
6-(pyridin-2-ylsulfamoyl)pyridine-3-carboxylic acid
CID 63872213
6-[(2,4-difluorophenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872962
6-[(2,5-dimethylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63873742
6-methylsulfonylpyridine-3-carboxylic acid
CID 53429616
6-(4-methylsulfanylbutylsulfamoyl)pyridine-3-carboxylic acid
CID 113487300
6-[(5-cyano-2-pyridinyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63874149

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylsulfanylphenyl)sulfamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(4-methylsulfanylphenyl)sulfamoyl]pyridine-3-carboxylic acid (CID 63872781) is 6-[(4-methylsulfanylphenyl)sulfamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(4-methylsulfanylphenyl)sulfamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(4-methylsulfanylphenyl)sulfamoyl]pyridine-3-carboxylic acid is CSc1ccc(NS(=O)(=O)c2ccc(C(=O)O)cn2)cc1.
What is the InChIKey of 6-[(4-methylsulfanylphenyl)sulfamoyl]pyridine-3-carboxylic acid?
The InChIKey is UBLYHMUMEORDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S2/c1-20-11-5-3-10(4-6-11)15-21(18,19)12-7-2-9(8-14-12)13(16)17/h2-8,15H,1H3,(H,16,17).
What are the key properties of 6-[(4-methylsulfanylphenyl)sulfamoyl]pyridine-3-carboxylic acid?
6-[(4-methylsulfanylphenyl)sulfamoyl]pyridine-3-carboxylic acid has a molecular weight of 324.38 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylsulfanylphenyl)sulfamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63872781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).