3-[(5-chloro-2-methylphenyl)sulfamoyl]benzoic acid

C14H12ClNO4S — CID 8504645

IUPAC3-[(5-chloro-2-methylphenyl)sulfamoyl]benzoic acid
SMILESCc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C14H12ClNO4S/c1-9-5-6-11(15)8-13(9)16-21(19,20)12-4-2-3-10(7-12)14(17)18/h2-8,16H,1H3,(H,17,18)
InChIKeyFQRWXIQJPDFDHX-UHFFFAOYSA-N
MW325.77 g/mol
LogP3.15
Rot. Bonds4

About 3-[(5-chloro-2-methylphenyl)sulfamoyl]benzoic acid

3-[(5-chloro-2-methylphenyl)sulfamoyl]benzoic acid (PubChem CID 8504645) has the molecular formula C14H12ClNO4S and a molecular weight of 325.77 g/mol. Its IUPAC name is 3-[(5-chloro-2-methylphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(5-chloro-2-methylphenyl)sulfamoyl]benzoic acid
PubChem CID8504645
Molecular FormulaC14H12ClNO4S
Molecular Weight325.77 g/mol
Exact Mass325.02
IUPAC Name3-[(5-chloro-2-methylphenyl)sulfamoyl]benzoic acid
SMILESCc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C14H12ClNO4S/c1-9-5-6-11(15)8-13(9)16-21(19,20)12-4-2-3-10(7-12)14(17)18/h2-8,16H,1H3,(H,17,18)
InChIKeyFQRWXIQJPDFDHX-UHFFFAOYSA-N
XLogP3.15
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetyl-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 8504652
N-(5-chloro-2-methylphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide
CID 100657069
3-[(5-bromo-2-methylphenyl)sulfamoyl]benzoic acid
CID 43715694
3-[(5-chloro-2-methylphenyl)sulfamoyl]-N-cyclopentylbenzamide
CID 109063245
N-(5-chloro-2-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063322
N-butyl-3-[(5-chloro-2-methylphenyl)sulfamoyl]benzamide
CID 109062606
3-[(5-chloro-2-phenoxyphenyl)sulfamoyl]benzoic acid
CID 45464935
3-[(2-chloro-5-methylphenyl)sulfamoyl]benzoic acid
CID 103768285
N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 2697102
3-bromo-4-[(5-chloro-2-methylphenyl)sulfamoyl]benzoic acid
CID 78851015
4-[(5-chloro-2-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 30059495
3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid
CID 63672038

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methylphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 3-[(5-chloro-2-methylphenyl)sulfamoyl]benzoic acid (CID 8504645) is 3-[(5-chloro-2-methylphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-[(5-chloro-2-methylphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-[(5-chloro-2-methylphenyl)sulfamoyl]benzoic acid is Cc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-[(5-chloro-2-methylphenyl)sulfamoyl]benzoic acid?
The InChIKey is FQRWXIQJPDFDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4S/c1-9-5-6-11(15)8-13(9)16-21(19,20)12-4-2-3-10(7-12)14(17)18/h2-8,16H,1H3,(H,17,18).
What are the key properties of 3-[(5-chloro-2-methylphenyl)sulfamoyl]benzoic acid?
3-[(5-chloro-2-methylphenyl)sulfamoyl]benzoic acid has a molecular weight of 325.77 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methylphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 8504645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).