N-Benzyl-4-chloro-5-sulfamoylanthranilic acid
TL;DR: N-Benzyl-4-chloro-5-sulfamoylanthranilic acid (CAS 2114-68-3) is a chemical compound with molecular formula C14H13ClN2O4S and molecular weight 340.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzylamino)-4-chloro-5-sulfamoylbenzoic acid
Also Known As: N-Benzyl-4-chloro-5-sulfamoylanthranilic acid, 2-(benzylamino)-4-chloro-5-sulfamoylbenzoic acid, 2-Benzylamino-4-chloro-5-sulfamoylbenzoic acid, 4-Chlor-5-sulfamoyl-N-benzyl-anthranilsaeure, 2-benzylamino-4-chloro-5-sulphamoyl benzoic acid
| Molecular Formula | C14H13ClN2O4S |
|---|---|
| Molecular Weight | 340.03 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.02844 |
| Heavy Atoms | 22 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 2114-68-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl |
| InChIKey | QQLNFWFHBAFHPR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Benzyl-4-chloro-5-sulfamoylanthranilic acid (CAS 2114-68-3), with molecular formula C14H13ClN2O4S and molecular weight 340.03 g/mol. IUPAC: 2-(benzylamino)-4-chloro-5-sulfamoylbenzoic acid.
Chemical Property Profile of N-Benzyl-4-chloro-5-sulfamoylanthranilic acid
Property Insights of N-Benzyl-4-chloro-5-sulfamoylanthranilic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Benzyl-4-chloro-5-sulfamoylanthranilic acid. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Benzyl-4-chloro-5-sulfamoylanthranilic acid. Following Lipinski's Rule of Five, N-Benzyl-4-chloro-5-sulfamoylanthranilic acid has 3 hydrogen bond donor(s) and 6 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 N-Benzyl-4-chloro-5-sulfamoylanthranilic acid?
The CAS number of N-Benzyl-4-chloro-5-sulfamoylanthranilic acid is 2114-68-3.
What is the molecular formula of N-Benzyl-4-chloro-5-sulfamoylanthranilic acid?
The molecular formula of N-Benzyl-4-chloro-5-sulfamoylanthranilic acid is C14H13ClN2O4S.
What is the molecular weight of N-Benzyl-4-chloro-5-sulfamoylanthranilic acid?
The molecular weight of N-Benzyl-4-chloro-5-sulfamoylanthranilic acid is 340.03 g/mol.
Where can I buy N-Benzyl-4-chloro-5-sulfamoylanthranilic acid?
You can request a quote for N-Benzyl-4-chloro-5-sulfamoylanthranilic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzyl-4-chloro-5-sulfamoylanthranilic acid?
Yes, KEHONG BIO provides custom synthesis services for N-Benzyl-4-chloro-5-sulfamoylanthranilic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.