4-(4-Chloro-3-nitro-benzenesulfonylamino)-benzoic acid
TL;DR: 4-(4-Chloro-3-nitro-benzenesulfonylamino)-benzoic acid (CAS 96459-91-5) 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.
4-[(4-chloro-3-nitrophenyl)sulfonylamino]benzoic acid
Also Known As: 4-(4-chloro-3-nitrobenzenesulfonamido)benzoic acid, 4-(4-Chloro-3-nitro-benzenesulfonylamino)-benzoic acid, 4-[(4-chloro-3-nitrophenyl)sulfonylamino]benzoic acid, Benzoic acid, 4-[[(4-chloro-3-nitrophenyl)sulfonyl]amino]-, 4-(4-chloro-3-nitrobenzenesulfonamido)benzoicacid
| 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 | 879.8378 |
Chemical Identifiers
| CAS Number | 96459-91-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
4-(4-Chloro-3-nitro-benzenesulfonylamino)-benzoic acid (CAS 96459-91-5), with molecular formula C13H9ClN2O6S and molecular weight 355.99 g/mol. IUPAC: 4-[(4-chloro-3-nitrophenyl)sulfonylamino]benzoic acid.
Chemical Property Profile of 4-(4-Chloro-3-nitro-benzenesulfonylamino)-benzoic acid
Property Insights of 4-(4-Chloro-3-nitro-benzenesulfonylamino)-benzoic acid
The XLogP value of 2.7472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Chloro-3-nitro-benzenesulfonylamino)-benzoic acid. The TPSA of 126.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Chloro-3-nitro-benzenesulfonylamino)-benzoic acid. Following Lipinski's Rule of Five, 4-(4-Chloro-3-nitro-benzenesulfonylamino)-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 4-(4-Chloro-3-nitro-benzenesulfonylamino)-benzoic acid?
The CAS number of 4-(4-Chloro-3-nitro-benzenesulfonylamino)-benzoic acid is 96459-91-5.
What is the molecular formula of 4-(4-Chloro-3-nitro-benzenesulfonylamino)-benzoic acid?
The molecular formula of 4-(4-Chloro-3-nitro-benzenesulfonylamino)-benzoic acid is C13H9ClN2O6S.
What is the molecular weight of 4-(4-Chloro-3-nitro-benzenesulfonylamino)-benzoic acid?
The molecular weight of 4-(4-Chloro-3-nitro-benzenesulfonylamino)-benzoic acid is 355.99 g/mol.
Where can I buy 4-(4-Chloro-3-nitro-benzenesulfonylamino)-benzoic acid?
You can request a quote for 4-(4-Chloro-3-nitro-benzenesulfonylamino)-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-(4-Chloro-3-nitro-benzenesulfonylamino)-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chloro-3-nitro-benzenesulfonylamino)-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.