3-chloro-4-sulfamoylbenzoic acid

C7H6ClNO4S — CID 47003139

IUPAC3-chloro-4-sulfamoylbenzoic acid
SMILESNS(=O)(=O)c1ccc(C(=O)O)cc1Cl
InChIInChI=1S/C7H6ClNO4S/c8-5-3-4(7(10)11)1-2-6(5)14(9,12)13/h1-3H,(H,10,11)(H2,9,12,13)
InChIKeyVOISTTGQLIPIHV-UHFFFAOYSA-N
MW235.65 g/mol
LogP0.69
Rot. Bonds2

About 3-chloro-4-sulfamoylbenzoic acid

3-chloro-4-sulfamoylbenzoic acid (PubChem CID 47003139) has the molecular formula C7H6ClNO4S and a molecular weight of 235.65 g/mol. Its IUPAC name is 3-chloro-4-sulfamoylbenzoic acid.

Molecular Properties

Compound Name3-chloro-4-sulfamoylbenzoic acid
PubChem CID47003139
Molecular FormulaC7H6ClNO4S
Molecular Weight235.65 g/mol
Exact Mass234.97
IUPAC Name3-chloro-4-sulfamoylbenzoic acid
SMILESNS(=O)(=O)c1ccc(C(=O)O)cc1Cl
InChIInChI=1S/C7H6ClNO4S/c8-5-3-4(7(10)11)1-2-6(5)14(9,12)13/h1-3H,(H,10,11)(H2,9,12,13)
InChIKeyVOISTTGQLIPIHV-UHFFFAOYSA-N
XLogP0.69
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.65
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-chloro-4-sulfamoylbenzoic 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

benzoic acid;2,4-dichlorobenzenesulfonamide
CID 175086946
3-chloro-4-iodobenzoic acid
CID 18953341
4-amino-2-chlorobenzenesulfonamide
CID 12533522
2-amino-5-chloro-4-sulfamoylbenzoic acid
CID 163729654
3-chloro-4-(trifluoromethylsulfonyl)benzamide
CID 57432721
4-[(2R)-2-carbamoylpyrrolidin-1-yl]sulfonyl-3-chlorobenzoic acid
CID 146131026
4-(4-carboxy-2-chlorophenyl)-3-chlorobenzoic acid;dihydrochloride
CID 67933510
3-(3-chloro-4-sulfamoylphenoxy)propanoic acid
CID 63841156
3-(3-chloro-4-sulfamoylphenyl)prop-2-enamide
CID 169482354
3-chloro-4-[[(2S)-3-methoxybutan-2-yl]sulfamoyl]benzoic acid
CID 126813815
3,3-dimethylbutyl 3,4-dichloro-5-sulfamoylbenzoate
CID 66226465
ethyl 4-chloro-3-sulfamoylbenzoate
CID 15938945

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-sulfamoylbenzoic acid?
The IUPAC name of 3-chloro-4-sulfamoylbenzoic acid (CID 47003139) is 3-chloro-4-sulfamoylbenzoic acid.
What is the SMILES notation for 3-chloro-4-sulfamoylbenzoic acid?
The canonical SMILES for 3-chloro-4-sulfamoylbenzoic acid is NS(=O)(=O)c1ccc(C(=O)O)cc1Cl.
What is the InChIKey of 3-chloro-4-sulfamoylbenzoic acid?
The InChIKey is VOISTTGQLIPIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO4S/c8-5-3-4(7(10)11)1-2-6(5)14(9,12)13/h1-3H,(H,10,11)(H2,9,12,13).
What are the key properties of 3-chloro-4-sulfamoylbenzoic acid?
3-chloro-4-sulfamoylbenzoic acid has a molecular weight of 235.65 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-sulfamoylbenzoic acid is sourced from PubChem (CID 47003139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).