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

C14H14N2O4S — CID 63669848

IUPAC4-methyl-3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid
SMILESCc1cnccc1NS(=O)(=O)c1cc(C(=O)O)ccc1C
InChIInChI=1S/C14H14N2O4S/c1-9-3-4-11(14(17)18)7-13(9)21(19,20)16-12-5-6-15-8-10(12)2/h3-8H,1-2H3,(H,15,16)(H,17,18)
InChIKeyOOOVLVGKPZLRPH-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.20
Rot. Bonds4

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

4-methyl-3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid (PubChem CID 63669848) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 4-methyl-3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-methyl-3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid
PubChem CID63669848
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name4-methyl-3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid
SMILESCc1cnccc1NS(=O)(=O)c1cc(C(=O)O)ccc1C
InChIInChI=1S/C14H14N2O4S/c1-9-3-4-11(14(17)18)7-13(9)21(19,20)16-12-5-6-15-8-10(12)2/h3-8H,1-2H3,(H,15,16)(H,17,18)
InChIKeyOOOVLVGKPZLRPH-UHFFFAOYSA-N
XLogP2.20
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid
CID 63672038
5-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 86768448
4-chloro-3-[(4-methyl-3-pyridinyl)sulfamoyl]benzoic acid
CID 63327821
4-methyl-3-[(5-methyl-3-pyridinyl)sulfamoyl]benzoic acid
CID 107584612
3-methyl-4-[(3-methyl-4-pyridinyl)sulfamoyl]benzenecarbothioamide
CID 106998225
4-acetyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63670374
4-chloro-3-[(3-fluoro-4-pyridinyl)sulfamoyl]benzoic acid
CID 107594770
3-[(2,3-difluorophenyl)sulfamoyl]-4-methylbenzoic acid
CID 52715195
4-methyl-3-(pyridin-3-ylsulfonylamino)benzoic acid
CID 24709903
3-(hydrazinesulfonyl)-4-methylbenzoic acid
CID 12639642
3-[(2-methoxycarbonylphenyl)sulfamoyl]-4-methylbenzoic acid
CID 24502065
4-[(3-methyl-4-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 63672039

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-methyl-3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid (CID 63669848) is 4-methyl-3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-methyl-3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-methyl-3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid is Cc1cnccc1NS(=O)(=O)c1cc(C(=O)O)ccc1C.
What is the InChIKey of 4-methyl-3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid?
The InChIKey is OOOVLVGKPZLRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-9-3-4-11(14(17)18)7-13(9)21(19,20)16-12-5-6-15-8-10(12)2/h3-8H,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 4-methyl-3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid?
4-methyl-3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid has a molecular weight of 306.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 63669848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).