4-Chloro-3-(4-fluorobenzenesulfonamido)benzoic acid
TL;DR: 4-Chloro-3-(4-fluorobenzenesulfonamido)benzoic acid (CAS 729561-80-2) is a chemical compound with molecular formula C13H9ClFNO4S and molecular weight 328.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-[(4-fluorophenyl)sulfonylamino]benzoic acid
Also Known As: 4-chloro-3-(4-fluorobenzenesulfonamido)benzoic acid, 4-Chloro-3-(4-fluoro-benzenesulfonylamino)-benzoic acid, 4-chloro-3-[(4-fluorophenyl)sulfonylamino]benzoic Acid, 4-chloro-3-(4-fluorobenzenesulfonamido)benzoicacid, 999-252-0
| Molecular Formula | C13H9ClFNO4S |
|---|---|
| Molecular Weight | 328.99 g/mol |
| LogP | 2.9781 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.9925 |
| Heavy Atoms | 21 |
| Complexity | 790.3186 |
Chemical Identifiers
| CAS Number | 729561-80-2 |
|---|---|
| SMILES | C1=CC(=CC=C1F)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)Cl |
Product Overview
4-Chloro-3-(4-fluorobenzenesulfonamido)benzoic acid (CAS 729561-80-2), with molecular formula C13H9ClFNO4S and molecular weight 328.99 g/mol. IUPAC: 4-chloro-3-[(4-fluorophenyl)sulfonylamino]benzoic acid.
Chemical Property Profile of 4-Chloro-3-(4-fluorobenzenesulfonamido)benzoic acid
Property Insights of 4-Chloro-3-(4-fluorobenzenesulfonamido)benzoic acid
The XLogP value of 2.9781 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3-(4-fluorobenzenesulfonamido)benzoic acid. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-3-(4-fluorobenzenesulfonamido)benzoic acid. Following Lipinski's Rule of Five, 4-Chloro-3-(4-fluorobenzenesulfonamido)benzoic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Chloro-3-(4-fluorobenzenesulfonamido)benzoic acid?
The CAS number of 4-Chloro-3-(4-fluorobenzenesulfonamido)benzoic acid is 729561-80-2.
What is the molecular formula of 4-Chloro-3-(4-fluorobenzenesulfonamido)benzoic acid?
The molecular formula of 4-Chloro-3-(4-fluorobenzenesulfonamido)benzoic acid is C13H9ClFNO4S.
What is the molecular weight of 4-Chloro-3-(4-fluorobenzenesulfonamido)benzoic acid?
The molecular weight of 4-Chloro-3-(4-fluorobenzenesulfonamido)benzoic acid is 328.99 g/mol.
Where can I buy 4-Chloro-3-(4-fluorobenzenesulfonamido)benzoic acid?
You can request a quote for 4-Chloro-3-(4-fluorobenzenesulfonamido)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-3-(4-fluorobenzenesulfonamido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-(4-fluorobenzenesulfonamido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.