3-[(4-acetamido-3-chlorophenyl)sulfonylamino]-4-methylbenzoic acid

C16H15ClN2O5S — CID 25047152

IUPAC3-[(4-acetamido-3-chlorophenyl)sulfonylamino]-4-methylbenzoic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2C)cc1Cl
InChIInChI=1S/C16H15ClN2O5S/c1-9-3-4-11(16(21)22)7-15(9)19-25(23,24)12-5-6-14(13(17)8-12)18-10(2)20/h3-8,19H,1-2H3,(H,18,20)(H,21,22)
InChIKeyFZCWVZBSAFAIFJ-UHFFFAOYSA-N
MW382.83 g/mol
LogP3.11
Rot. Bonds5

About 3-[(4-acetamido-3-chlorophenyl)sulfonylamino]-4-methylbenzoic acid

3-[(4-acetamido-3-chlorophenyl)sulfonylamino]-4-methylbenzoic acid (PubChem CID 25047152) has the molecular formula C16H15ClN2O5S and a molecular weight of 382.83 g/mol. Its IUPAC name is 3-[(4-acetamido-3-chlorophenyl)sulfonylamino]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[(4-acetamido-3-chlorophenyl)sulfonylamino]-4-methylbenzoic acid
PubChem CID25047152
Molecular FormulaC16H15ClN2O5S
Molecular Weight382.83 g/mol
Exact Mass382.04
IUPAC Name3-[(4-acetamido-3-chlorophenyl)sulfonylamino]-4-methylbenzoic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2C)cc1Cl
InChIInChI=1S/C16H15ClN2O5S/c1-9-3-4-11(16(21)22)7-15(9)19-25(23,24)12-5-6-14(13(17)8-12)18-10(2)20/h3-8,19H,1-2H3,(H,18,20)(H,21,22)
InChIKeyFZCWVZBSAFAIFJ-UHFFFAOYSA-N
XLogP3.11
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.83
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(4-acetamido-3-chlorophenyl)sulfonylamino]-4-methylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-4-methylbenzoic acid
CID 2441956
3-[(4-acetamidophenyl)sulfonylamino]-4-methylbenzoic acid
CID 2975645
N-[4-[(4-tert-butyl-2-chlorophenyl)sulfamoyl]-2-chlorophenyl]acetamide
CID 3817725
3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoic acid
CID 2341479
4-methyl-3-(naphthalen-2-ylsulfonylamino)benzoic acid
CID 2451680
3-[(2-chlorophenyl)sulfonylamino]-4-methylbenzoic acid
CID 4801006
N-[2-[(4-chloro-3-methylphenyl)sulfonylamino]phenyl]acetamide
CID 113093718
3-[(2-chloro-4-methylphenyl)sulfonylamino]-4-methylbenzoic acid
CID 32673907
3-[(5-chloro-2-methylphenyl)sulfamoyl]benzoic acid
CID 8504645
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylbenzoic acid
CID 4849086
N-[2-[(4-chloro-3-methylphenyl)sulfonylamino]-4-fluorophenyl]acetamide
CID 113093031
3,4-diacetamidobenzoic acid
CID 2735923

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetamido-3-chlorophenyl)sulfonylamino]-4-methylbenzoic acid?
The IUPAC name of 3-[(4-acetamido-3-chlorophenyl)sulfonylamino]-4-methylbenzoic acid (CID 25047152) is 3-[(4-acetamido-3-chlorophenyl)sulfonylamino]-4-methylbenzoic acid.
What is the SMILES notation for 3-[(4-acetamido-3-chlorophenyl)sulfonylamino]-4-methylbenzoic acid?
The canonical SMILES for 3-[(4-acetamido-3-chlorophenyl)sulfonylamino]-4-methylbenzoic acid is CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2C)cc1Cl.
What is the InChIKey of 3-[(4-acetamido-3-chlorophenyl)sulfonylamino]-4-methylbenzoic acid?
The InChIKey is FZCWVZBSAFAIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O5S/c1-9-3-4-11(16(21)22)7-15(9)19-25(23,24)12-5-6-14(13(17)8-12)18-10(2)20/h3-8,19H,1-2H3,(H,18,20)(H,21,22).
What are the key properties of 3-[(4-acetamido-3-chlorophenyl)sulfonylamino]-4-methylbenzoic acid?
3-[(4-acetamido-3-chlorophenyl)sulfonylamino]-4-methylbenzoic acid has a molecular weight of 382.83 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetamido-3-chlorophenyl)sulfonylamino]-4-methylbenzoic acid is sourced from PubChem (CID 25047152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).