4-methyl-3-(pyridin-3-ylsulfonylamino)benzoic acid

C13H12N2O4S — CID 24709903

IUPAC4-methyl-3-(pyridin-3-ylsulfonylamino)benzoic acid
SMILESCc1ccc(C(=O)O)cc1NS(=O)(=O)c1cccnc1
InChIInChI=1S/C13H12N2O4S/c1-9-4-5-10(13(16)17)7-12(9)15-20(18,19)11-3-2-6-14-8-11/h2-8,15H,1H3,(H,16,17)
InChIKeyYERWHPKRYOBRME-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.89
Rot. Bonds4

About 4-methyl-3-(pyridin-3-ylsulfonylamino)benzoic acid

4-methyl-3-(pyridin-3-ylsulfonylamino)benzoic acid (PubChem CID 24709903) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is 4-methyl-3-(pyridin-3-ylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name4-methyl-3-(pyridin-3-ylsulfonylamino)benzoic acid
PubChem CID24709903
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Name4-methyl-3-(pyridin-3-ylsulfonylamino)benzoic acid
SMILESCc1ccc(C(=O)O)cc1NS(=O)(=O)c1cccnc1
InChIInChI=1S/C13H12N2O4S/c1-9-4-5-10(13(16)17)7-12(9)15-20(18,19)11-3-2-6-14-8-11/h2-8,15H,1H3,(H,16,17)
InChIKeyYERWHPKRYOBRME-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

methyl 4-methyl-3-(pyridin-3-ylsulfonylamino)benzoate
CID 25038996
3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid
CID 63672038
N-(5-cyano-2-methylphenyl)pyridine-3-sulfonamide
CID 62105428
4-methyl-3-(pyridin-3-ylamino)benzoic acid
CID 82536002
3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoic acid
CID 2341479
4-methyl-3-(naphthalen-2-ylsulfonylamino)benzoic acid
CID 2451680
3-[(4-acetamidophenyl)sulfonylamino]-4-methylbenzoic acid
CID 2975645
3-[(5-bromo-2-methylphenyl)sulfamoyl]benzoic acid
CID 43715694
2-methyl-4-(pyridin-3-ylsulfonylamino)-1H-pyrrole-3-carboxylic acid
CID 82880941
4-methyl-3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid
CID 63669848
3-[(5-chloro-2-methylphenyl)sulfamoyl]benzoic acid
CID 8504645
N-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide
CID 3865818

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(pyridin-3-ylsulfonylamino)benzoic acid?
The IUPAC name of 4-methyl-3-(pyridin-3-ylsulfonylamino)benzoic acid (CID 24709903) is 4-methyl-3-(pyridin-3-ylsulfonylamino)benzoic acid.
What is the SMILES notation for 4-methyl-3-(pyridin-3-ylsulfonylamino)benzoic acid?
The canonical SMILES for 4-methyl-3-(pyridin-3-ylsulfonylamino)benzoic acid is Cc1ccc(C(=O)O)cc1NS(=O)(=O)c1cccnc1.
What is the InChIKey of 4-methyl-3-(pyridin-3-ylsulfonylamino)benzoic acid?
The InChIKey is YERWHPKRYOBRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c1-9-4-5-10(13(16)17)7-12(9)15-20(18,19)11-3-2-6-14-8-11/h2-8,15H,1H3,(H,16,17).
What are the key properties of 4-methyl-3-(pyridin-3-ylsulfonylamino)benzoic acid?
4-methyl-3-(pyridin-3-ylsulfonylamino)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 4-methyl-3-(pyridin-3-ylsulfonylamino)benzoic acid is sourced from PubChem (CID 24709903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).