Benzoic acid, 5-(((2-carboxyphenyl)amino)sulfonyl)-2-chloro-
TL;DR: Benzoic acid, 5-(((2-carboxyphenyl)amino)sulfonyl)-2-chloro- (CAS 91-36-1) is a chemical compound with molecular formula C14H10ClNO6S and molecular weight 354.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-carboxyphenyl)sulfamoyl]-2-chlorobenzoic acid
Also Known As: 5-[(2-carboxyphenyl)sulfamoyl]-2-chlorobenzoic acid, Benzoic acid, 5-[[(2-carboxyphenyl)amino]sulfonyl]-2-chloro-, 5-[[amino]sulphonyl]-2-chlorobenzoicacid, 5-[[ amino]sulphonyl]-2-chlorobenzoicacid, Benzoic acid, 5-(((2-carboxyphenyl)amino)sulfonyl)-2-chloro-
| Molecular Formula | C14H10ClNO6S |
|---|---|
| Molecular Weight | 354.99 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.99173 |
| Heavy Atoms | 23 |
| Complexity | 560.0 |
Chemical Identifiers
| CAS Number | 91-36-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O |
| InChIKey | XYUBQRPKIVSWKI-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 5-(((2-carboxyphenyl)amino)sulfonyl)-2-chloro- (CAS 91-36-1), with molecular formula C14H10ClNO6S and molecular weight 354.99 g/mol. IUPAC: 5-[(2-carboxyphenyl)sulfamoyl]-2-chlorobenzoic acid.
Chemical Property Profile of Benzoic acid, 5-(((2-carboxyphenyl)amino)sulfonyl)-2-chloro-
Property Insights of Benzoic acid, 5-(((2-carboxyphenyl)amino)sulfonyl)-2-chloro-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 5-(((2-carboxyphenyl)amino)sulfonyl)-2-chloro-. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 5-(((2-carboxyphenyl)amino)sulfonyl)-2-chloro-. Following Lipinski's Rule of Five, Benzoic acid, 5-(((2-carboxyphenyl)amino)sulfonyl)-2-chloro- has 3 hydrogen bond donor(s) and 7 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 Benzoic acid, 5-(((2-carboxyphenyl)amino)sulfonyl)-2-chloro-?
The CAS number of Benzoic acid, 5-(((2-carboxyphenyl)amino)sulfonyl)-2-chloro- is 91-36-1.
What is the molecular formula of Benzoic acid, 5-(((2-carboxyphenyl)amino)sulfonyl)-2-chloro-?
The molecular formula of Benzoic acid, 5-(((2-carboxyphenyl)amino)sulfonyl)-2-chloro- is C14H10ClNO6S.
What is the molecular weight of Benzoic acid, 5-(((2-carboxyphenyl)amino)sulfonyl)-2-chloro-?
The molecular weight of Benzoic acid, 5-(((2-carboxyphenyl)amino)sulfonyl)-2-chloro- is 354.99 g/mol.
Where can I buy Benzoic acid, 5-(((2-carboxyphenyl)amino)sulfonyl)-2-chloro-?
You can request a quote for Benzoic acid, 5-(((2-carboxyphenyl)amino)sulfonyl)-2-chloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 5-(((2-carboxyphenyl)amino)sulfonyl)-2-chloro-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 5-(((2-carboxyphenyl)amino)sulfonyl)-2-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.