![Ethyl 4-{[(4-chlorobenzyl)sulfonyl]amino}benzoate structure](/static/products/827/827619-85-2.png)
Ethyl 4-{[(4-chlorobenzyl)sulfonyl]amino}benzoate
TL;DR: Ethyl 4-{[(4-chlorobenzyl)sulfonyl]amino}benzoate (CAS 827619-85-2) is a chemical compound with molecular formula C16H16ClNO4S and molecular weight 353.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4-chlorophenyl)methylsulfonylamino]benzoate
Also Known As: ethyl 4-{[(4-chlorobenzyl)sulfonyl]amino}benzoate, ethyl 4-((4-chlorophenyl)methylsulfonamido)benzoate, ethyl 4-[(4-chlorophenyl)methylsulfonylamino]benzoate, ethyl 4-({[(4-chlorophenyl)methyl]sulfonyl}amino)benzoate, ETHYL 4-[(4-CHLOROPHENYL)METHANESULFONAMIDO]BENZOATE
| Molecular Formula | C16H16ClNO4S |
|---|---|
| Molecular Weight | 353.05 g/mol |
| LogP | 3.4586 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.04886 |
| Heavy Atoms | 23 |
| Complexity | 770.7325 |
Chemical Identifiers
| CAS Number | 827619-85-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)CC2=CC=C(C=C2)Cl |
Product Overview
Ethyl 4-{[(4-chlorobenzyl)sulfonyl]amino}benzoate (CAS 827619-85-2), with molecular formula C16H16ClNO4S and molecular weight 353.05 g/mol. IUPAC: ethyl 4-[(4-chlorophenyl)methylsulfonylamino]benzoate.
Chemical Property Profile of Ethyl 4-{[(4-chlorobenzyl)sulfonyl]amino}benzoate
Property Insights of Ethyl 4-{[(4-chlorobenzyl)sulfonyl]amino}benzoate
The XLogP value of 3.4586 indicates that Ethyl 4-{[(4-chlorobenzyl)sulfonyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{[(4-chlorobenzyl)sulfonyl]amino}benzoate. Following Lipinski's Rule of Five, Ethyl 4-{[(4-chlorobenzyl)sulfonyl]amino}benzoate has 1 hydrogen bond donor(s) and 4 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 4-{[(4-chlorobenzyl)sulfonyl]amino}benzoate?
The CAS number of Ethyl 4-{[(4-chlorobenzyl)sulfonyl]amino}benzoate is 827619-85-2.
What is the molecular formula of Ethyl 4-{[(4-chlorobenzyl)sulfonyl]amino}benzoate?
The molecular formula of Ethyl 4-{[(4-chlorobenzyl)sulfonyl]amino}benzoate is C16H16ClNO4S.
What is the molecular weight of Ethyl 4-{[(4-chlorobenzyl)sulfonyl]amino}benzoate?
The molecular weight of Ethyl 4-{[(4-chlorobenzyl)sulfonyl]amino}benzoate is 353.05 g/mol.
Where can I buy Ethyl 4-{[(4-chlorobenzyl)sulfonyl]amino}benzoate?
You can request a quote for Ethyl 4-{[(4-chlorobenzyl)sulfonyl]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 4-{[(4-chlorobenzyl)sulfonyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[(4-chlorobenzyl)sulfonyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.