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

C13H12N2O4S — CID 5263728

IUPAC6-[(3-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid
SMILESCc1cccc(S(=O)(=O)Nc2cccc(C(=O)O)n2)c1
InChIInChI=1S/C13H12N2O4S/c1-9-4-2-5-10(8-9)20(18,19)15-12-7-3-6-11(14-12)13(16)17/h2-8H,1H3,(H,14,15)(H,16,17)
InChIKeyJNGPKFSZKRINMK-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.89
Rot. Bonds4

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

6-[(3-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid (PubChem CID 5263728) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is 6-[(3-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(3-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid
PubChem CID5263728
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Name6-[(3-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid
SMILESCc1cccc(S(=O)(=O)Nc2cccc(C(=O)O)n2)c1
InChIInChI=1S/C13H12N2O4S/c1-9-4-2-5-10(8-9)20(18,19)15-12-7-3-6-11(14-12)13(16)17/h2-8H,1H3,(H,14,15)(H,16,17)
InChIKeyJNGPKFSZKRINMK-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

6-(benzenesulfonamido)pyridine-2-carboxylic acid
CID 5263740
6-[(5-methylthiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 5263723
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 60814463
2-hydroxy-5-[(6-methyl-2-pyridinyl)sulfamoyl]benzoic acid
CID 29285613
4-[(3-methylphenyl)sulfonylamino]benzenesulfonic acid
CID 21052319
3-methyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038018
6-[(2-ethoxy-2-oxoethyl)sulfonylamino]pyridine-2-carboxylic acid
CID 63642577
N-[5-(2-chlorophenyl)-6-methyl-2-pyridinyl]-3-methylbenzenesulfonamide
CID 69069110
N-(4-chloro-2-pyridinyl)-3-methylbenzenesulfonamide
CID 115679391
6-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 55249907
3-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid
CID 2542050
(3-methylphenyl)sulfonylurea
CID 46224904

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(3-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid (CID 5263728) is 6-[(3-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(3-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(3-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid is Cc1cccc(S(=O)(=O)Nc2cccc(C(=O)O)n2)c1.
What is the InChIKey of 6-[(3-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid?
The InChIKey is JNGPKFSZKRINMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c1-9-4-2-5-10(8-9)20(18,19)15-12-7-3-6-11(14-12)13(16)17/h2-8H,1H3,(H,14,15)(H,16,17).
What are the key properties of 6-[(3-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid?
6-[(3-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 6-[(3-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 5263728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).