3-(4-Chloro-3-nitrobenzenesulfonamido)benzoic acid
TL;DR: 3-(4-Chloro-3-nitrobenzenesulfonamido)benzoic acid (CAS 136832-73-0) is a chemical compound with molecular formula C13H9ClN2O6S and molecular weight 355.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chloro-3-nitrophenyl)sulfonylamino]benzoic acid
Also Known As: 3-(4-chloro-3-nitrobenzenesulfonamido)benzoic acid, 3-[(4-chloro-3-nitrophenyl)sulfonylamino]benzoic acid, 3-{[(4-chloro-3-nitrophenyl)sulfonyl]amino}benzoic acid, 3-(4-chloro-3-nitrobenzenesulfonamido)benzoicacid, 3-[(4-chloro-3-nitrobenzene)sulfonamido]benzoic acid
| Molecular Formula | C13H9ClN2O6S |
|---|---|
| Molecular Weight | 355.99 g/mol |
| LogP | 2.7472 |
| Topological Polar Surface Area | 126.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.987 |
| Heavy Atoms | 23 |
| Complexity | 897.0878 |
Chemical Identifiers
| CAS Number | 136832-73-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)O |
Product Overview
3-(4-Chloro-3-nitrobenzenesulfonamido)benzoic acid (CAS 136832-73-0), with molecular formula C13H9ClN2O6S and molecular weight 355.99 g/mol. IUPAC: 3-[(4-chloro-3-nitrophenyl)sulfonylamino]benzoic acid.
Chemical Property Profile of 3-(4-Chloro-3-nitrobenzenesulfonamido)benzoic acid
Property Insights of 3-(4-Chloro-3-nitrobenzenesulfonamido)benzoic acid
The XLogP value of 2.7472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Chloro-3-nitrobenzenesulfonamido)benzoic acid. The TPSA of 126.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Chloro-3-nitrobenzenesulfonamido)benzoic acid. Following Lipinski's Rule of Five, 3-(4-Chloro-3-nitrobenzenesulfonamido)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-Chloro-3-nitrobenzenesulfonamido)benzoic acid?
The CAS number of 3-(4-Chloro-3-nitrobenzenesulfonamido)benzoic acid is 136832-73-0.
What is the molecular formula of 3-(4-Chloro-3-nitrobenzenesulfonamido)benzoic acid?
The molecular formula of 3-(4-Chloro-3-nitrobenzenesulfonamido)benzoic acid is C13H9ClN2O6S.
What is the molecular weight of 3-(4-Chloro-3-nitrobenzenesulfonamido)benzoic acid?
The molecular weight of 3-(4-Chloro-3-nitrobenzenesulfonamido)benzoic acid is 355.99 g/mol.
Where can I buy 3-(4-Chloro-3-nitrobenzenesulfonamido)benzoic acid?
You can request a quote for 3-(4-Chloro-3-nitrobenzenesulfonamido)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-Chloro-3-nitrobenzenesulfonamido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chloro-3-nitrobenzenesulfonamido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.