2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetic acid

C15H14ClNO4S — CID 1199

IUPAC2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetic acid
SMILESCc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C15H14ClNO4S/c1-11-5-7-14(8-6-11)22(20,21)17(10-15(18)19)13-4-2-3-12(16)9-13/h2-9H,10H2,1H3,(H,18,19)
InChIKeyJLTQNQSARCUPGB-UHFFFAOYSA-N
MW339.80 g/mol
LogP2.93
Rot. Bonds5

About 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetic acid

2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetic acid (PubChem CID 1199) has the molecular formula C15H14ClNO4S and a molecular weight of 339.80 g/mol. Its IUPAC name is 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetic acid.

Molecular Properties

Compound Name2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetic acid
PubChem CID1199
Molecular FormulaC15H14ClNO4S
Molecular Weight339.80 g/mol
Exact Mass339.03
IUPAC Name2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetic acid
SMILESCc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C15H14ClNO4S/c1-11-5-7-14(8-6-11)22(20,21)17(10-15(18)19)13-4-2-3-12(16)9-13/h2-9H,10H2,1H3,(H,18,19)
InChIKeyJLTQNQSARCUPGB-UHFFFAOYSA-N
XLogP2.93
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetic acid?
The IUPAC name of 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetic acid (CID 1199) is 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetic acid.
What is the SMILES notation for 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetic acid?
The canonical SMILES for 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetic acid is Cc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetic acid?
The InChIKey is JLTQNQSARCUPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4S/c1-11-5-7-14(8-6-11)22(20,21)17(10-15(18)19)13-4-2-3-12(16)9-13/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetic acid?
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetic acid has a molecular weight of 339.80 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetic acid is sourced from PubChem (CID 1199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).