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

C15H14ClNO4S — CID 32673907

IUPAC3-[(2-chloro-4-methylphenyl)sulfonylamino]-4-methylbenzoic acid
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2C)c(Cl)c1
InChIInChI=1S/C15H14ClNO4S/c1-9-3-6-14(12(16)7-9)22(20,21)17-13-8-11(15(18)19)5-4-10(13)2/h3-8,17H,1-2H3,(H,18,19)
InChIKeyZFDJUQLNWYDRIP-UHFFFAOYSA-N
MW339.80 g/mol
LogP3.46
Rot. Bonds4

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

3-[(2-chloro-4-methylphenyl)sulfonylamino]-4-methylbenzoic acid (PubChem CID 32673907) has the molecular formula C15H14ClNO4S and a molecular weight of 339.80 g/mol. Its IUPAC name is 3-[(2-chloro-4-methylphenyl)sulfonylamino]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[(2-chloro-4-methylphenyl)sulfonylamino]-4-methylbenzoic acid
PubChem CID32673907
Molecular FormulaC15H14ClNO4S
Molecular Weight339.80 g/mol
Exact Mass339.03
IUPAC Name3-[(2-chloro-4-methylphenyl)sulfonylamino]-4-methylbenzoic acid
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2C)c(Cl)c1
InChIInChI=1S/C15H14ClNO4S/c1-9-3-6-14(12(16)7-9)22(20,21)17-13-8-11(15(18)19)5-4-10(13)2/h3-8,17H,1-2H3,(H,18,19)
InChIKeyZFDJUQLNWYDRIP-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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Related Compounds

3-[(2-chlorophenyl)sulfonylamino]-4-methylbenzoic acid
CID 4801006
3-bromo-4-[(5-chloro-2-methylphenyl)sulfamoyl]benzoic acid
CID 78851015
3-[(2,4-dimethoxyphenyl)sulfonylamino]-4-methylbenzoic acid
CID 45330107
N-(3-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzenesulfonamide
CID 60971720
3,4-dichloro-5-[(2,4-dimethylphenyl)sulfamoyl]benzoic acid
CID 78843133
2-chloro-N-[2-(methanesulfonamido)phenyl]-4-methylbenzenesulfonamide
CID 39837795
3-[(4-acetamido-3-chlorophenyl)sulfonylamino]-4-methylbenzoic acid
CID 25047152
5-[(2-chloro-4-methylphenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 43361345
4-chloro-N-(2,5-dimethylphenyl)-2-methylbenzenesulfonamide
CID 47308842
2-chloro-N-(2-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 32673947
3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoic acid
CID 2341479
6-[(2,5-dimethylphenyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63873742

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-methylphenyl)sulfonylamino]-4-methylbenzoic acid?
The IUPAC name of 3-[(2-chloro-4-methylphenyl)sulfonylamino]-4-methylbenzoic acid (CID 32673907) is 3-[(2-chloro-4-methylphenyl)sulfonylamino]-4-methylbenzoic acid.
What is the SMILES notation for 3-[(2-chloro-4-methylphenyl)sulfonylamino]-4-methylbenzoic acid?
The canonical SMILES for 3-[(2-chloro-4-methylphenyl)sulfonylamino]-4-methylbenzoic acid is Cc1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2C)c(Cl)c1.
What is the InChIKey of 3-[(2-chloro-4-methylphenyl)sulfonylamino]-4-methylbenzoic acid?
The InChIKey is ZFDJUQLNWYDRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4S/c1-9-3-6-14(12(16)7-9)22(20,21)17-13-8-11(15(18)19)5-4-10(13)2/h3-8,17H,1-2H3,(H,18,19).
What are the key properties of 3-[(2-chloro-4-methylphenyl)sulfonylamino]-4-methylbenzoic acid?
3-[(2-chloro-4-methylphenyl)sulfonylamino]-4-methylbenzoic 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 3-[(2-chloro-4-methylphenyl)sulfonylamino]-4-methylbenzoic acid is sourced from PubChem (CID 32673907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).