2-(Acetylamino)-5-(aminosulfonyl)-4-chlorobenzoic acid
TL;DR: 2-(Acetylamino)-5-(aminosulfonyl)-4-chlorobenzoic acid (CAS 17560-54-2) is a chemical compound with molecular formula C9H9ClN2O5S and molecular weight 291.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetamido-4-chloro-5-sulfamoylbenzoic acid
Also Known As: METOLAZONE_met006, 2-acetamido-4-chloro-5-sulfamoylbenzoic acid, 2-(Acetylamino)-5-(aminosulphonyl)-4-chlorobenzoic acid, 2-(Acetylamino)-5-(aminosulfonyl)-4-chlorobenzoic acid, 4-CHLORO-2-ACETAMIDO-5-SULFAMOYLBENZOIC ACID
| Molecular Formula | C9H9ClN2O5S |
|---|---|
| Molecular Weight | 291.99 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.99207 |
| Heavy Atoms | 18 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 17560-54-2 |
|---|---|
| SMILES | CC(=O)NC1=CC(=C(C=C1C(=O)O)S(=O)(=O)N)Cl |
| InChIKey | YUHXSVUWDBFINU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Acetylamino)-5-(aminosulfonyl)-4-chlorobenzoic acid (CAS 17560-54-2), with molecular formula C9H9ClN2O5S and molecular weight 291.99 g/mol. IUPAC: 2-acetamido-4-chloro-5-sulfamoylbenzoic acid.
Chemical Property Profile of 2-(Acetylamino)-5-(aminosulfonyl)-4-chlorobenzoic acid
Property Insights of 2-(Acetylamino)-5-(aminosulfonyl)-4-chlorobenzoic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Acetylamino)-5-(aminosulfonyl)-4-chlorobenzoic acid. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Acetylamino)-5-(aminosulfonyl)-4-chlorobenzoic acid. Following Lipinski's Rule of Five, 2-(Acetylamino)-5-(aminosulfonyl)-4-chlorobenzoic 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 2-(Acetylamino)-5-(aminosulfonyl)-4-chlorobenzoic acid?
The CAS number of 2-(Acetylamino)-5-(aminosulfonyl)-4-chlorobenzoic acid is 17560-54-2.
What is the molecular formula of 2-(Acetylamino)-5-(aminosulfonyl)-4-chlorobenzoic acid?
The molecular formula of 2-(Acetylamino)-5-(aminosulfonyl)-4-chlorobenzoic acid is C9H9ClN2O5S.
What is the molecular weight of 2-(Acetylamino)-5-(aminosulfonyl)-4-chlorobenzoic acid?
The molecular weight of 2-(Acetylamino)-5-(aminosulfonyl)-4-chlorobenzoic acid is 291.99 g/mol.
Where can I buy 2-(Acetylamino)-5-(aminosulfonyl)-4-chlorobenzoic acid?
You can request a quote for 2-(Acetylamino)-5-(aminosulfonyl)-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 2-(Acetylamino)-5-(aminosulfonyl)-4-chlorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Acetylamino)-5-(aminosulfonyl)-4-chlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.