4-[(3-chlorophenyl)sulfonylamino]benzoic acid

Name: 4-[(3-chlorophenyl)sulfonylamino]benzoic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₁₀ClNO₄S — CID 1299802

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-[(3-chlorophenyl)sulfonylamino]benzoic acid

SMILESO=C(O)c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1

InChIInChI=1S/C13H10ClNO4S/c14-10-2-1-3-12(8-10)20(18,19)15-11-6-4-9(5-7-11)13(16)17/h1-8,15H,(H,16,17)

InChIKeyJQVIQJNDKGSTPV-UHFFFAOYSA-N

MW311.75 g/mol

LogP2.84

Rot. Bonds4

About 4-[(3-chlorophenyl)sulfonylamino]benzoic acid

4-[(3-chlorophenyl)sulfonylamino]benzoic acid (PubChem CID 1299802) has the molecular formula C₁₃H₁₀ClNO₄S and a molecular weight of 311.75 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name	4-[(3-chlorophenyl)sulfonylamino]benzoic acid
PubChem CID	1299802
Molecular Formula	C₁₃H₁₀ClNO₄S
Molecular Weight	311.75 g/mol
Exact Mass	311.00
IUPAC Name	4-[(3-chlorophenyl)sulfonylamino]benzoic acid
SMILES	O=C(O)c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1
InChI	InChI=1S/C13H10ClNO4S/c14-10-2-1-3-12(8-10)20(18,19)15-11-6-4-9(5-7-11)13(16)17/h1-8,15H,(H,16,17)
InChIKey	JQVIQJNDKGSTPV-UHFFFAOYSA-N
XLogP	2.84
TPSA	83.47 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	4
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	311.75
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)sulfonylamino]benzoic acid?

The IUPAC name of 4-[(3-chlorophenyl)sulfonylamino]benzoic acid (CID 1299802) is 4-[(3-chlorophenyl)sulfonylamino]benzoic acid.

What is the SMILES notation for 4-[(3-chlorophenyl)sulfonylamino]benzoic acid?

The canonical SMILES for 4-[(3-chlorophenyl)sulfonylamino]benzoic acid is O=C(O)c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1.

What is the InChIKey of 4-[(3-chlorophenyl)sulfonylamino]benzoic acid?

The InChIKey is JQVIQJNDKGSTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO4S/c14-10-2-1-3-12(8-10)20(18,19)15-11-6-4-9(5-7-11)13(16)17/h1-8,15H,(H,16,17).

What are the key properties of 4-[(3-chlorophenyl)sulfonylamino]benzoic acid?

4-[(3-chlorophenyl)sulfonylamino]benzoic acid has a molecular weight of 311.75 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3-chlorophenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 1299802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 1299802 — identifiers, structure, computed properties (public domain)

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