3-chloro-2-fluoro-5-sulfamoylbenzoic acid

C7H5ClFNO4S — CID 71756491

IUPAC3-chloro-2-fluoro-5-sulfamoylbenzoic acid
SMILESNS(=O)(=O)c1cc(Cl)c(F)c(C(=O)O)c1
InChIInChI=1S/C7H5ClFNO4S/c8-5-2-3(15(10,13)14)1-4(6(5)9)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)
InChIKeyZRANYBQAFZQAAW-UHFFFAOYSA-N
MW253.64 g/mol
LogP0.82
Rot. Bonds2

About 3-chloro-2-fluoro-5-sulfamoylbenzoic acid

3-chloro-2-fluoro-5-sulfamoylbenzoic acid (PubChem CID 71756491) has the molecular formula C7H5ClFNO4S and a molecular weight of 253.64 g/mol. Its IUPAC name is 3-chloro-2-fluoro-5-sulfamoylbenzoic acid.

Molecular Properties

Compound Name3-chloro-2-fluoro-5-sulfamoylbenzoic acid
PubChem CID71756491
Molecular FormulaC7H5ClFNO4S
Molecular Weight253.64 g/mol
Exact Mass252.96
IUPAC Name3-chloro-2-fluoro-5-sulfamoylbenzoic acid
SMILESNS(=O)(=O)c1cc(Cl)c(F)c(C(=O)O)c1
InChIInChI=1S/C7H5ClFNO4S/c8-5-2-3(15(10,13)14)1-4(6(5)9)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)
InChIKeyZRANYBQAFZQAAW-UHFFFAOYSA-N
XLogP0.82
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.64
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-chloro-2-fluoro-5-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

4-Chloro-3-sulfamoylbenzoic acid
CID 14568
2-Fluoro-5-sulfamoylbenzoic acid
CID 2492684
Benzoic acid, 2-chloro-5-(chlorosulfonyl)-
CID 67306
3-Sulfamoylbenzoic acid
CID 229352
2-Fluoro-5-chlorosulfonylbenzoic acid
CID 608984
3-(Aminosulfonyl)-4-fluorobenzoic acid
CID 684842
2-Chloro-4-fluoro-5-sulfamoylbenzoic acid
CID 4241546
2-Chloro-5-aminosulfonylbenzoic acid
CID 66794
4-Chloro-3-(chlorosulphonyl)benzoic acid
CID 75613
2-Chloro-5-(fluorosulpho)benzoic acid
CID 88873
2-Chloro-5-chlorosulfonyl-4-fluorobenzoic acid
CID 4571930
3-Chloro-4-(fluorosulfonyl)benzoic acid
CID 308450

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-5-sulfamoylbenzoic acid?
The IUPAC name of 3-chloro-2-fluoro-5-sulfamoylbenzoic acid (CID 71756491) is 3-chloro-2-fluoro-5-sulfamoylbenzoic acid.
What is the SMILES notation for 3-chloro-2-fluoro-5-sulfamoylbenzoic acid?
The canonical SMILES for 3-chloro-2-fluoro-5-sulfamoylbenzoic acid is NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)O)c1.
What is the InChIKey of 3-chloro-2-fluoro-5-sulfamoylbenzoic acid?
The InChIKey is ZRANYBQAFZQAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFNO4S/c8-5-2-3(15(10,13)14)1-4(6(5)9)7(11)12/h1-2H,(H,11,12)(H2,10,13,14).
What are the key properties of 3-chloro-2-fluoro-5-sulfamoylbenzoic acid?
3-chloro-2-fluoro-5-sulfamoylbenzoic acid has a molecular weight of 253.64 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-5-sulfamoylbenzoic acid is sourced from PubChem (CID 71756491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).