3-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid

C13H12N2O4S — CID 115778031

IUPAC3-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid
SMILESCc1ccc(S(=O)(=O)Nc2cccnc2C(=O)O)cc1
InChIInChI=1S/C13H12N2O4S/c1-9-4-6-10(7-5-9)20(18,19)15-11-3-2-8-14-12(11)13(16)17/h2-8,15H,1H3,(H,16,17)
InChIKeySTHJNKHLVJEXTA-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.89
Rot. Bonds4

About 3-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid

3-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid (PubChem CID 115778031) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is 3-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid
PubChem CID115778031
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Name3-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid
SMILESCc1ccc(S(=O)(=O)Nc2cccnc2C(=O)O)cc1
InChIInChI=1S/C13H12N2O4S/c1-9-4-6-10(7-5-9)20(18,19)15-11-3-2-8-14-12(11)13(16)17/h2-8,15H,1H3,(H,16,17)
InChIKeySTHJNKHLVJEXTA-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylsulfonylamino)pyridine-2-carboxylic acid
CID 104740614
3-[(5-chloro-2-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 115777996
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
1,3-bis[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 170548847
3-(3-methylbutylsulfonylamino)pyridine-2-carboxylic acid
CID 113447522
4-methyl-N-[4-methyl-2-(2-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide
CID 59788740
2-methyl-5-[(2-methyl-3-pyridinyl)sulfamoyl]benzoic acid
CID 79042866
3-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 113341680
5-hydroxy-2-[2-[(4-methylphenyl)sulfonylamino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434247
N-[4,5-dimethyl-2-(2-methylpyridine-3-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 20827669
3-(methylamino)pyridine-2-carboxylic acid
CID 19779285
2-methoxy-6-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 122220864

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid (CID 115778031) is 3-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid is Cc1ccc(S(=O)(=O)Nc2cccnc2C(=O)O)cc1.
What is the InChIKey of 3-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid?
The InChIKey is STHJNKHLVJEXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c1-9-4-6-10(7-5-9)20(18,19)15-11-3-2-8-14-12(11)13(16)17/h2-8,15H,1H3,(H,16,17).
What are the key properties of 3-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid?
3-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid has a molecular weight of 292.32 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 115778031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).