3-(4-Chlorobenzenesulfonamido)benzoic acid
TL;DR: 3-(4-Chlorobenzenesulfonamido)benzoic acid (CAS 313658-68-3) is a chemical compound with molecular formula C13H10ClNO4S and molecular weight 311.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)sulfonylamino]benzoic acid
Also Known As: 3-(4-chlorobenzenesulfonamido)benzoic acid, 3-[(4-chlorophenyl)sulfonylamino]benzoic acid, BAS 00315620, 3-{[(4-chlorophenyl)sulfonyl]amino}benzoic acid, 3-(4-Chlorophenylsulfonamido)benzoic Acid
| Molecular Formula | C13H10ClNO4S |
|---|---|
| Molecular Weight | 311.00 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.0019 |
| Heavy Atoms | 20 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 313658-68-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)O |
| InChIKey | QLZXSYFEOSMCSB-UHFFFAOYSA-N |
Product Overview
3-(4-Chlorobenzenesulfonamido)benzoic acid (CAS 313658-68-3), with molecular formula C13H10ClNO4S and molecular weight 311.00 g/mol. IUPAC: 3-[(4-chlorophenyl)sulfonylamino]benzoic acid.
Chemical Property Profile of 3-(4-Chlorobenzenesulfonamido)benzoic acid
Property Insights of 3-(4-Chlorobenzenesulfonamido)benzoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Chlorobenzenesulfonamido)benzoic acid. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Chlorobenzenesulfonamido)benzoic acid. Following Lipinski's Rule of Five, 3-(4-Chlorobenzenesulfonamido)benzoic acid has 2 hydrogen bond donor(s) and 5 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 3-(4-Chlorobenzenesulfonamido)benzoic acid?
The CAS number of 3-(4-Chlorobenzenesulfonamido)benzoic acid is 313658-68-3.
What is the molecular formula of 3-(4-Chlorobenzenesulfonamido)benzoic acid?
The molecular formula of 3-(4-Chlorobenzenesulfonamido)benzoic acid is C13H10ClNO4S.
What is the molecular weight of 3-(4-Chlorobenzenesulfonamido)benzoic acid?
The molecular weight of 3-(4-Chlorobenzenesulfonamido)benzoic acid is 311.00 g/mol.
Where can I buy 3-(4-Chlorobenzenesulfonamido)benzoic acid?
You can request a quote for 3-(4-Chlorobenzenesulfonamido)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chlorobenzenesulfonamido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorobenzenesulfonamido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.