3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid

C13H12N2O4S — CID 63672038

IUPAC3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid
SMILESCc1cnccc1NS(=O)(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C13H12N2O4S/c1-9-8-14-6-5-12(9)15-20(18,19)11-4-2-3-10(7-11)13(16)17/h2-8H,1H3,(H,14,15)(H,16,17)
InChIKeyJRFDUGMWCSVUIP-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.89
Rot. Bonds4

About 3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid

3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid (PubChem CID 63672038) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is 3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid
PubChem CID63672038
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Name3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid
SMILESCc1cnccc1NS(=O)(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C13H12N2O4S/c1-9-8-14-6-5-12(9)15-20(18,19)11-4-2-3-10(7-11)13(16)17/h2-8H,1H3,(H,14,15)(H,16,17)
InChIKeyJRFDUGMWCSVUIP-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

4-methyl-3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid
CID 63669848
3-[(3-methyl-4-pyridinyl)methylsulfamoyl]benzoic acid
CID 114698508
4-methyl-3-(pyridin-3-ylsulfonylamino)benzoic acid
CID 24709903
3-[(5-bromo-2-methylphenyl)sulfamoyl]benzoic acid
CID 43715694
4-[(3-methyl-4-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 63672039
4-acetyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63670374
3-[(5-chloro-2-methylphenyl)sulfamoyl]benzoic acid
CID 8504645
3-[(6-bromo-2-methyl-3-pyridinyl)sulfamoyl]benzoic acid
CID 103907841
3-[[4-(diethylamino)-2-methylphenyl]sulfamoyl]benzoic acid
CID 25043576
4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 66524316
3-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid
CID 2542050
3-[(2-chloro-5-methylphenyl)sulfamoyl]benzoic acid
CID 103768285

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid?
The IUPAC name of 3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid (CID 63672038) is 3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid is Cc1cnccc1NS(=O)(=O)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid?
The InChIKey is JRFDUGMWCSVUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c1-9-8-14-6-5-12(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-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid?
3-[(3-methyl-4-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-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 63672038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).