![Ethyl 2-[(benzylsulfonyl)amino]benzoate structure](/static/products/333/333430-50-5.png)
Ethyl 2-[(benzylsulfonyl)amino]benzoate
TL;DR: Ethyl 2-[(benzylsulfonyl)amino]benzoate (CAS 333430-50-5) is a chemical compound with molecular formula C16H17NO4S and molecular weight 319.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(benzylsulfonylamino)benzoate
Also Known As: ethyl 2-[(benzylsulfonyl)amino]benzoate, ethyl 2-(benzylsulfonylamino)benzoate, ethyl 2-{[benzylsulfonyl]amino}benzoate, ETHYL 2-(PHENYLMETHANESULFONAMIDO)BENZOATE
| Molecular Formula | C16H17NO4S |
|---|---|
| Molecular Weight | 319.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 319.08783 |
| Heavy Atoms | 22 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 333430-50-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1NS(=O)(=O)CC2=CC=CC=C2 |
| InChIKey | ZQWUYGCTBXHIOK-UHFFFAOYSA-N |
Product Overview
Ethyl 2-[(benzylsulfonyl)amino]benzoate (CAS 333430-50-5), with molecular formula C16H17NO4S and molecular weight 319.09 g/mol. IUPAC: ethyl 2-(benzylsulfonylamino)benzoate.
Chemical Property Profile of Ethyl 2-[(benzylsulfonyl)amino]benzoate
Property Insights of Ethyl 2-[(benzylsulfonyl)amino]benzoate
The XLogP value of 3.2 indicates that Ethyl 2-[(benzylsulfonyl)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[(benzylsulfonyl)amino]benzoate. Following Lipinski's Rule of Five, Ethyl 2-[(benzylsulfonyl)amino]benzoate has 1 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 Ethyl 2-[(benzylsulfonyl)amino]benzoate?
The CAS number of Ethyl 2-[(benzylsulfonyl)amino]benzoate is 333430-50-5.
What is the molecular formula of Ethyl 2-[(benzylsulfonyl)amino]benzoate?
The molecular formula of Ethyl 2-[(benzylsulfonyl)amino]benzoate is C16H17NO4S.
What is the molecular weight of Ethyl 2-[(benzylsulfonyl)amino]benzoate?
The molecular weight of Ethyl 2-[(benzylsulfonyl)amino]benzoate is 319.09 g/mol.
Where can I buy Ethyl 2-[(benzylsulfonyl)amino]benzoate?
You can request a quote for Ethyl 2-[(benzylsulfonyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[(benzylsulfonyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(benzylsulfonyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.