3-chloro-2-[(2-chlorophenyl)sulfonylamino]benzoic acid

C13H9Cl2NO4S — CID 45314134

IUPAC3-chloro-2-[(2-chlorophenyl)sulfonylamino]benzoic acid
SMILESO=C(O)c1cccc(Cl)c1NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C13H9Cl2NO4S/c14-9-5-1-2-7-11(9)21(19,20)16-12-8(13(17)18)4-3-6-10(12)15/h1-7,16H,(H,17,18)
InChIKeyLBPCFQNJIGLZQJ-UHFFFAOYSA-N
MW346.19 g/mol
LogP3.49
Rot. Bonds4

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

3-chloro-2-[(2-chlorophenyl)sulfonylamino]benzoic acid (PubChem CID 45314134) has the molecular formula C13H9Cl2NO4S and a molecular weight of 346.19 g/mol. Its IUPAC name is 3-chloro-2-[(2-chlorophenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name3-chloro-2-[(2-chlorophenyl)sulfonylamino]benzoic acid
PubChem CID45314134
Molecular FormulaC13H9Cl2NO4S
Molecular Weight346.19 g/mol
Exact Mass344.96
IUPAC Name3-chloro-2-[(2-chlorophenyl)sulfonylamino]benzoic acid
SMILESO=C(O)c1cccc(Cl)c1NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C13H9Cl2NO4S/c14-9-5-1-2-7-11(9)21(19,20)16-12-8(13(17)18)4-3-6-10(12)15/h1-7,16H,(H,17,18)
InChIKeyLBPCFQNJIGLZQJ-UHFFFAOYSA-N
XLogP3.49
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.19
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-chloro-2-[(2-chlorophenyl)sulfonylamino]benzoic 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

2-[(2-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 4738922
3-methyl-2-[(2-methylphenyl)sulfonylamino]benzoic acid
CID 62998199
2-[(2-chlorophenyl)sulfonylamino]-5-methylbenzoic acid
CID 28970995
3-chloro-2-(cyclohexylsulfonylamino)benzoic acid
CID 107049283
2-[(5-bromo-3-pyridinyl)sulfonylamino]-3-chlorobenzoic acid
CID 104933701
6-[(2-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 61319210
3-chloro-2-(cyclopropylmethylsulfonylamino)benzoic acid
CID 104933689
3-chloro-2-(2-chloroanilino)benzoic acid
CID 615153
3-[(2-chlorophenyl)sulfonylamino]-4-methylbenzoic acid
CID 4801006
3-chloro-2-[(2-methylbenzoyl)amino]benzoic acid
CID 23208226
2-[(3-bromo-2-chloro-6-methylphenyl)sulfamoyl]benzoic acid
CID 70620304
5-[(2-chlorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 43123347

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2-chlorophenyl)sulfonylamino]benzoic acid?
The IUPAC name of 3-chloro-2-[(2-chlorophenyl)sulfonylamino]benzoic acid (CID 45314134) is 3-chloro-2-[(2-chlorophenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 3-chloro-2-[(2-chlorophenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 3-chloro-2-[(2-chlorophenyl)sulfonylamino]benzoic acid is O=C(O)c1cccc(Cl)c1NS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 3-chloro-2-[(2-chlorophenyl)sulfonylamino]benzoic acid?
The InChIKey is LBPCFQNJIGLZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO4S/c14-9-5-1-2-7-11(9)21(19,20)16-12-8(13(17)18)4-3-6-10(12)15/h1-7,16H,(H,17,18).
What are the key properties of 3-chloro-2-[(2-chlorophenyl)sulfonylamino]benzoic acid?
3-chloro-2-[(2-chlorophenyl)sulfonylamino]benzoic acid has a molecular weight of 346.19 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(2-chlorophenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 45314134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).