3-(2,5-Dichloro-benzenesulfonylamino)-benzoic acid
TL;DR: 3-(2,5-Dichloro-benzenesulfonylamino)-benzoic acid (CAS 88522-30-9) is a chemical compound with molecular formula C13H9Cl2NO4S and molecular weight 344.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid
Also Known As: 3-(2,5-Dichloro-benzenesulfonylamino)-benzoic acid, Benzenesulfonyl isocyanate, 3-(2,5-dichlorobenzenesulfonamido)benzoic acid, BAS 00190272, Benzoic acid,3-[[(2,5-dichlorophenyl)sulfonyl]amino]-
| Molecular Formula | C13H9Cl2NO4S |
|---|---|
| Molecular Weight | 344.96 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.96292 |
| Heavy Atoms | 21 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 88522-30-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl)C(=O)O |
| InChIKey | CQEZSDZFELLDDA-UHFFFAOYSA-N |
Product Overview
3-(2,5-Dichloro-benzenesulfonylamino)-benzoic acid (CAS 88522-30-9), with molecular formula C13H9Cl2NO4S and molecular weight 344.96 g/mol. IUPAC: 3-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid.
Chemical Property Profile of 3-(2,5-Dichloro-benzenesulfonylamino)-benzoic acid
Property Insights of 3-(2,5-Dichloro-benzenesulfonylamino)-benzoic acid
The XLogP value of 3.2 indicates that 3-(2,5-Dichloro-benzenesulfonylamino)-benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,5-Dichloro-benzenesulfonylamino)-benzoic acid. Following Lipinski's Rule of Five, 3-(2,5-Dichloro-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 3-(2,5-Dichloro-benzenesulfonylamino)-benzoic acid?
The CAS number of 3-(2,5-Dichloro-benzenesulfonylamino)-benzoic acid is 88522-30-9.
What is the molecular formula of 3-(2,5-Dichloro-benzenesulfonylamino)-benzoic acid?
The molecular formula of 3-(2,5-Dichloro-benzenesulfonylamino)-benzoic acid is C13H9Cl2NO4S.
What is the molecular weight of 3-(2,5-Dichloro-benzenesulfonylamino)-benzoic acid?
The molecular weight of 3-(2,5-Dichloro-benzenesulfonylamino)-benzoic acid is 344.96 g/mol.
Where can I buy 3-(2,5-Dichloro-benzenesulfonylamino)-benzoic acid?
You can request a quote for 3-(2,5-Dichloro-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 3-(2,5-Dichloro-benzenesulfonylamino)-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,5-Dichloro-benzenesulfonylamino)-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.