3-(Benzylsulfamoyl)-4-chlorobenzoic acid
TL;DR: 3-(Benzylsulfamoyl)-4-chlorobenzoic acid (CAS 313346-44-0) is a chemical compound with molecular formula C14H12ClNO4S and molecular weight 325.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzylsulfamoyl)-4-chlorobenzoic acid
Also Known As: 3-(benzylsulfamoyl)-4-chlorobenzoic acid, 3-Benzylsulfamoyl-4-chloro-benzoic acid, 3-(benzylsulfamoyl)-4-chloro-benzoic Acid, 3-(benzylsulfamoyl)-4-chlorobenzoicacid, 998-655-9
| Molecular Formula | C14H12ClNO4S |
|---|---|
| Molecular Weight | 325.02 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.01755 |
| Heavy Atoms | 21 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 313346-44-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl |
| InChIKey | OYZODPKPLWSLQU-UHFFFAOYSA-N |
Product Overview
3-(Benzylsulfamoyl)-4-chlorobenzoic acid (CAS 313346-44-0), with molecular formula C14H12ClNO4S and molecular weight 325.02 g/mol. IUPAC: 3-(benzylsulfamoyl)-4-chlorobenzoic acid.
Chemical Property Profile of 3-(Benzylsulfamoyl)-4-chlorobenzoic acid
Property Insights of 3-(Benzylsulfamoyl)-4-chlorobenzoic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Benzylsulfamoyl)-4-chlorobenzoic acid. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Benzylsulfamoyl)-4-chlorobenzoic acid. Following Lipinski's Rule of Five, 3-(Benzylsulfamoyl)-4-chlorobenzoic 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-(Benzylsulfamoyl)-4-chlorobenzoic acid?
The CAS number of 3-(Benzylsulfamoyl)-4-chlorobenzoic acid is 313346-44-0.
What is the molecular formula of 3-(Benzylsulfamoyl)-4-chlorobenzoic acid?
The molecular formula of 3-(Benzylsulfamoyl)-4-chlorobenzoic acid is C14H12ClNO4S.
What is the molecular weight of 3-(Benzylsulfamoyl)-4-chlorobenzoic acid?
The molecular weight of 3-(Benzylsulfamoyl)-4-chlorobenzoic acid is 325.02 g/mol.
Where can I buy 3-(Benzylsulfamoyl)-4-chlorobenzoic acid?
You can request a quote for 3-(Benzylsulfamoyl)-4-chlorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Benzylsulfamoyl)-4-chlorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Benzylsulfamoyl)-4-chlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.