2-[(4-chloro-3-methylphenyl)sulfonylamino]benzoic acid

C14H12ClNO4S — CID 962498

IUPAC2-[(4-chloro-3-methylphenyl)sulfonylamino]benzoic acid
SMILESCc1cc(S(=O)(=O)Nc2ccccc2C(=O)O)ccc1Cl
InChIInChI=1S/C14H12ClNO4S/c1-9-8-10(6-7-12(9)15)21(19,20)16-13-5-3-2-4-11(13)14(17)18/h2-8,16H,1H3,(H,17,18)
InChIKeyNZTFKFSZZUXLOD-UHFFFAOYSA-N
MW325.77 g/mol
LogP3.15
Rot. Bonds4

About 2-[(4-chloro-3-methylphenyl)sulfonylamino]benzoic acid

2-[(4-chloro-3-methylphenyl)sulfonylamino]benzoic acid (PubChem CID 962498) has the molecular formula C14H12ClNO4S and a molecular weight of 325.77 g/mol. Its IUPAC name is 2-[(4-chloro-3-methylphenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-[(4-chloro-3-methylphenyl)sulfonylamino]benzoic acid
PubChem CID962498
Molecular FormulaC14H12ClNO4S
Molecular Weight325.77 g/mol
Exact Mass325.02
IUPAC Name2-[(4-chloro-3-methylphenyl)sulfonylamino]benzoic acid
SMILESCc1cc(S(=O)(=O)Nc2ccccc2C(=O)O)ccc1Cl
InChIInChI=1S/C14H12ClNO4S/c1-9-8-10(6-7-12(9)15)21(19,20)16-13-5-3-2-4-11(13)14(17)18/h2-8,16H,1H3,(H,17,18)
InChIKeyNZTFKFSZZUXLOD-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

N-[2-[(4-chloro-3-methylphenyl)sulfonylamino]phenyl]acetamide
CID 113093718
4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide
CID 839413
2-chloro-5-[(2-methylsulfanylphenyl)sulfamoyl]benzoic acid
CID 25391393
3-[(3,4-dimethylphenyl)sulfonylamino]-2-methylbenzoic acid
CID 60603862
2-[[2-chloro-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 1356310
2-chloro-5-[[2-[(4-chlorophenyl)carbamoyl]phenyl]sulfamoyl]benzoic acid
CID 10205135
2-[(4-carboxyphenyl)sulfonylamino]benzoic acid
CID 763907
4-chloro-N-[2-(2-chlorobenzoyl)-5-methyl-3-pyridinyl]-3-methylbenzenesulfonamide
CID 58268260
2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid
CID 64607834
2-chloro-5-[(2-cyanophenyl)sulfamoyl]benzoic acid
CID 110757054
2-[(4-acetamidophenyl)sulfonylamino]benzoic acid
CID 3863821
2-[5-chloro-3-[(4-chloro-3-methylphenyl)sulfonylamino]pyridine-2-carbonyl]-3-fluorobenzoic acid
CID 58268135

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-methylphenyl)sulfonylamino]benzoic acid?
The IUPAC name of 2-[(4-chloro-3-methylphenyl)sulfonylamino]benzoic acid (CID 962498) is 2-[(4-chloro-3-methylphenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2-[(4-chloro-3-methylphenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 2-[(4-chloro-3-methylphenyl)sulfonylamino]benzoic acid is Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)O)ccc1Cl.
What is the InChIKey of 2-[(4-chloro-3-methylphenyl)sulfonylamino]benzoic acid?
The InChIKey is NZTFKFSZZUXLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4S/c1-9-8-10(6-7-12(9)15)21(19,20)16-13-5-3-2-4-11(13)14(17)18/h2-8,16H,1H3,(H,17,18).
What are the key properties of 2-[(4-chloro-3-methylphenyl)sulfonylamino]benzoic acid?
2-[(4-chloro-3-methylphenyl)sulfonylamino]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 2-[(4-chloro-3-methylphenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 962498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).