6-[(3-chloro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid

C13H11ClN2O4S — CID 63872589

IUPAC6-[(3-chloro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C13H11ClN2O4S/c1-8-10(14)3-2-4-11(8)16-21(19,20)12-6-5-9(7-15-12)13(17)18/h2-7,16H,1H3,(H,17,18)
InChIKeyPNISVXOWBBNAIS-UHFFFAOYSA-N
MW326.76 g/mol
LogP2.54
Rot. Bonds4

About 6-[(3-chloro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid

6-[(3-chloro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid (PubChem CID 63872589) has the molecular formula C13H11ClN2O4S and a molecular weight of 326.76 g/mol. Its IUPAC name is 6-[(3-chloro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3-chloro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid
PubChem CID63872589
Molecular FormulaC13H11ClN2O4S
Molecular Weight326.76 g/mol
Exact Mass326.01
IUPAC Name6-[(3-chloro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C13H11ClN2O4S/c1-8-10(14)3-2-4-11(8)16-21(19,20)12-6-5-9(7-15-12)13(17)18/h2-7,16H,1H3,(H,17,18)
InChIKeyPNISVXOWBBNAIS-UHFFFAOYSA-N
XLogP2.54
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.76
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[(3-chloro-2-methylphenyl)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-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63873772
6-[(2,5-dichlorophenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872022
6-[(2,5-dimethylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63873742
4-acetyl-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 7938770
4-[(3-chloro-2-methylphenyl)sulfamoyl]benzamide
CID 51263313
6-[(2-chlorophenyl)methylsulfamoyl]pyridine-3-carboxylic acid
CID 63873154
6-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]pyridine-3-carboxylic acid
CID 113433482
N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61329492
6-methylsulfonylpyridine-3-carboxylic acid
CID 53429616
6-(pyridin-2-ylsulfamoyl)pyridine-3-carboxylic acid
CID 63872213
6-[(2,4-difluorophenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872962
6-[(3-fluoro-4-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63873343

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chloro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(3-chloro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid (CID 63872589) is 6-[(3-chloro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(3-chloro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(3-chloro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid is Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[(3-chloro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid?
The InChIKey is PNISVXOWBBNAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O4S/c1-8-10(14)3-2-4-11(8)16-21(19,20)12-6-5-9(7-15-12)13(17)18/h2-7,16H,1H3,(H,17,18).
What are the key properties of 6-[(3-chloro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid?
6-[(3-chloro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid has a molecular weight of 326.76 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chloro-2-methylphenyl)sulfamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63872589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).