3-[3-(methanesulfonamido)phenyl]pyridine-4-carboxylic acid

C13H12N2O4S — CID 53224449

IUPAC3-[3-(methanesulfonamido)phenyl]pyridine-4-carboxylic acid
SMILESCS(=O)(=O)Nc1cccc(-c2cnccc2C(=O)O)c1
InChIInChI=1S/C13H12N2O4S/c1-20(18,19)15-10-4-2-3-9(7-10)12-8-14-6-5-11(12)13(16)17/h2-8,15H,1H3,(H,16,17)
InChIKeySXSBPHRSCLMATR-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.82
Rot. Bonds4

About 3-[3-(methanesulfonamido)phenyl]pyridine-4-carboxylic acid

3-[3-(methanesulfonamido)phenyl]pyridine-4-carboxylic acid (PubChem CID 53224449) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is 3-[3-(methanesulfonamido)phenyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[3-(methanesulfonamido)phenyl]pyridine-4-carboxylic acid
PubChem CID53224449
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Name3-[3-(methanesulfonamido)phenyl]pyridine-4-carboxylic acid
SMILESCS(=O)(=O)Nc1cccc(-c2cnccc2C(=O)O)c1
InChIInChI=1S/C13H12N2O4S/c1-20(18,19)15-10-4-2-3-9(7-10)12-8-14-6-5-11(12)13(16)17/h2-8,15H,1H3,(H,16,17)
InChIKeySXSBPHRSCLMATR-UHFFFAOYSA-N
XLogP1.82
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[3-(methanesulfonamido)phenyl]pyridine-4-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

3-(3-acetamidophenyl)pyridine-4-carboxylic acid
CID 53223642
3-(3-carboxyphenyl)pyridine-4-carboxylic acid
CID 53223171
N-[3-(4-anilinopyrimidin-5-yl)phenyl]methanesulfonamide
CID 3233458
6-amino-3-[3-(methanesulfonamido)phenyl]pyridine-2-carboxylic acid
CID 53229646
3-(4-methylsulfonylphenyl)pyridine-4-carboxylic acid
CID 53224225
3-[3-(2-methylpropyl)phenyl]pyridine-4-carboxylic acid
CID 116545176
3-(4-carboxy-3-pyridinyl)pyridine-4-carboxylic acid
CID 91435588
3-(4-methylphenyl)pyridine-4-carboxylic acid
CID 19865918
N-[3-[5-[4-(methanesulfonamido)phenyl]-3-pyridinyl]phenyl]acetamide
CID 155560591
3-pyrimidin-5-ylpyridine-4-carboxylic acid
CID 66475076
5-hydroxy-1-[[2-[3-(methanesulfonamido)phenyl]phenyl]methyl]-4-oxopyridine-3-carboxylic acid
CID 58067668
4-(3-acetylphenyl)pyridine-3-carboxylic acid
CID 53229293

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methanesulfonamido)phenyl]pyridine-4-carboxylic acid?
The IUPAC name of 3-[3-(methanesulfonamido)phenyl]pyridine-4-carboxylic acid (CID 53224449) is 3-[3-(methanesulfonamido)phenyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[3-(methanesulfonamido)phenyl]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[3-(methanesulfonamido)phenyl]pyridine-4-carboxylic acid is CS(=O)(=O)Nc1cccc(-c2cnccc2C(=O)O)c1.
What is the InChIKey of 3-[3-(methanesulfonamido)phenyl]pyridine-4-carboxylic acid?
The InChIKey is SXSBPHRSCLMATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c1-20(18,19)15-10-4-2-3-9(7-10)12-8-14-6-5-11(12)13(16)17/h2-8,15H,1H3,(H,16,17).
What are the key properties of 3-[3-(methanesulfonamido)phenyl]pyridine-4-carboxylic acid?
3-[3-(methanesulfonamido)phenyl]pyridine-4-carboxylic acid has a molecular weight of 292.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methanesulfonamido)phenyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 53224449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).