4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzoic acid

C15H14ClNO4S — CID 967271

IUPAC4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzoic acid
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2Cl)c(C)c1
InChIInChI=1S/C15H14ClNO4S/c1-9-3-6-13(10(2)7-9)17-22(20,21)14-8-11(15(18)19)4-5-12(14)16/h3-8,17H,1-2H3,(H,18,19)
InChIKeyAQABOWZIGHACEE-UHFFFAOYSA-N
MW339.80 g/mol
LogP3.46
Rot. Bonds4

About 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzoic acid

4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzoic acid (PubChem CID 967271) has the molecular formula C15H14ClNO4S and a molecular weight of 339.80 g/mol. Its IUPAC name is 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzoic acid
PubChem CID967271
Molecular FormulaC15H14ClNO4S
Molecular Weight339.80 g/mol
Exact Mass339.03
IUPAC Name4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzoic acid
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2Cl)c(C)c1
InChIInChI=1S/C15H14ClNO4S/c1-9-3-6-13(10(2)7-9)17-22(20,21)14-8-11(15(18)19)4-5-12(14)16/h3-8,17H,1-2H3,(H,18,19)
InChIKeyAQABOWZIGHACEE-UHFFFAOYSA-N
XLogP3.46
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzoic acid (CID 967271) is 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzoic acid is Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2Cl)c(C)c1.
What is the InChIKey of 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzoic acid?
The InChIKey is AQABOWZIGHACEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4S/c1-9-3-6-13(10(2)7-9)17-22(20,21)14-8-11(15(18)19)4-5-12(14)16/h3-8,17H,1-2H3,(H,18,19).
What are the key properties of 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzoic acid?
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzoic acid has a molecular weight of 339.80 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 967271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).