3-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid

C13H12N2O4S — CID 2542050

IUPAC3-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)nc1
InChIInChI=1S/C13H12N2O4S/c1-9-5-6-12(14-8-9)15-20(18,19)11-4-2-3-10(7-11)13(16)17/h2-8H,1H3,(H,14,15)(H,16,17)
InChIKeyWIEGXBDBHGPEMP-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.89
Rot. Bonds4

About 3-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid

3-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid (PubChem CID 2542050) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is 3-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid
PubChem CID2542050
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Name3-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)nc1
InChIInChI=1S/C13H12N2O4S/c1-9-5-6-12(14-8-9)15-20(18,19)11-4-2-3-10(7-11)13(16)17/h2-8H,1H3,(H,14,15)(H,16,17)
InChIKeyWIEGXBDBHGPEMP-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-[(5-cyano-2-pyridinyl)sulfamoyl]benzoic acid
CID 62353939
3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 834756
2-chloro-5-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid
CID 28519051
3-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]benzoic acid
CID 116786477
6-[(3-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 61319004
3-[(2-chloro-5-methylphenyl)sulfamoyl]benzoic acid
CID 103768285
3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid
CID 63672038
N-[5-(tert-butylamino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113030068
5-methyl-4-[(5-methyl-2-pyridinyl)sulfamoyl]furan-2-carboxylic acid
CID 62803253
3-(hydroxysulfamoyl)benzoic acid
CID 10727486
4-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 759580
4-bromo-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 669661

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid?
The IUPAC name of 3-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid (CID 2542050) is 3-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)nc1.
What is the InChIKey of 3-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid?
The InChIKey is WIEGXBDBHGPEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c1-9-5-6-12(14-8-9)15-20(18,19)11-4-2-3-10(7-11)13(16)17/h2-8H,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid?
3-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic 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-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 2542050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).