2-methyl-3-(pyridin-3-ylsulfamoyl)benzoic acid

C13H12N2O4S — CID 63742304

IUPAC2-methyl-3-(pyridin-3-ylsulfamoyl)benzoic acid
SMILESCc1c(C(=O)O)cccc1S(=O)(=O)Nc1cccnc1
InChIInChI=1S/C13H12N2O4S/c1-9-11(13(16)17)5-2-6-12(9)20(18,19)15-10-4-3-7-14-8-10/h2-8,15H,1H3,(H,16,17)
InChIKeyBGPVKIQMJNVJNT-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.89
Rot. Bonds4

About 2-methyl-3-(pyridin-3-ylsulfamoyl)benzoic acid

2-methyl-3-(pyridin-3-ylsulfamoyl)benzoic acid (PubChem CID 63742304) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-methyl-3-(pyridin-3-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-methyl-3-(pyridin-3-ylsulfamoyl)benzoic acid
PubChem CID63742304
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Name2-methyl-3-(pyridin-3-ylsulfamoyl)benzoic acid
SMILESCc1c(C(=O)O)cccc1S(=O)(=O)Nc1cccnc1
InChIInChI=1S/C13H12N2O4S/c1-9-11(13(16)17)5-2-6-12(9)20(18,19)15-10-4-3-7-14-8-10/h2-8,15H,1H3,(H,16,17)
InChIKeyBGPVKIQMJNVJNT-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

2-methyl-3-[(4-pyrimidin-5-ylphenyl)sulfamoyl]benzoic acid
CID 167764712
3-[(4-bromophenyl)sulfamoyl]-2-methylbenzoic acid
CID 63743640
3-fluoro-4-methyl-5-(pyridin-3-ylsulfamoyl)benzoic acid
CID 43510389
3-[(1-ethylpyrazol-4-yl)sulfamoyl]-2-methylbenzoic acid
CID 63744322
3-(isoquinolin-5-ylsulfonylamino)-2-methylbenzoic acid
CID 131962177
N-benzyl-N-ethyl-2-(pyridin-3-ylsulfamoyl)benzamide
CID 58924072
2-(4-methoxypiperidine-1-carbonyl)-N-pyridin-3-ylbenzenesulfonamide
CID 58924135
3-amino-2,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 79889308
3-(pyridin-3-ylsulfamoyl)pyridine-2-carbothioamide
CID 106596301
2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-pyridin-3-ylbenzenesulfonamide
CID 58924251
2-methoxy-4,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 6472703
N-[(4-methoxyphenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide
CID 58924237

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(pyridin-3-ylsulfamoyl)benzoic acid?
The IUPAC name of 2-methyl-3-(pyridin-3-ylsulfamoyl)benzoic acid (CID 63742304) is 2-methyl-3-(pyridin-3-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-methyl-3-(pyridin-3-ylsulfamoyl)benzoic acid?
The canonical SMILES for 2-methyl-3-(pyridin-3-ylsulfamoyl)benzoic acid is Cc1c(C(=O)O)cccc1S(=O)(=O)Nc1cccnc1.
What is the InChIKey of 2-methyl-3-(pyridin-3-ylsulfamoyl)benzoic acid?
The InChIKey is BGPVKIQMJNVJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c1-9-11(13(16)17)5-2-6-12(9)20(18,19)15-10-4-3-7-14-8-10/h2-8,15H,1H3,(H,16,17).
What are the key properties of 2-methyl-3-(pyridin-3-ylsulfamoyl)benzoic acid?
2-methyl-3-(pyridin-3-ylsulfamoyl)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 2-methyl-3-(pyridin-3-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 63742304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).