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Ethyl 2-[({4-nitrophenyl}sulfonyl)amino]benzoate
TL;DR: Ethyl 2-[({4-nitrophenyl}sulfonyl)amino]benzoate (CAS 330468-48-9) is a chemical compound with molecular formula C15H14N2O6S and molecular weight 350.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-nitrophenyl)sulfonylamino]benzoate
Also Known As: BAS 00627582, ethyl 2-[({4-nitrophenyl}sulfonyl)amino]benzoate, ethyl 2-[(4-nitrophenyl)sulfonylamino]benzoate, ethyl 2-{[(4-nitrophenyl)sulfonyl]amino}benzoate, ETHYL 2-(4-NITROBENZENESULFONAMIDO)BENZOATE
| Molecular Formula | C15H14N2O6S |
|---|---|
| Molecular Weight | 350.06 g/mol |
| LogP | 2.5723 |
| Topological Polar Surface Area | 115.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 350.05725 |
| Heavy Atoms | 24 |
| Complexity | 861.78796 |
Chemical Identifiers
| CAS Number | 330468-48-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
Ethyl 2-[({4-nitrophenyl}sulfonyl)amino]benzoate (CAS 330468-48-9), with molecular formula C15H14N2O6S and molecular weight 350.06 g/mol. IUPAC: ethyl 2-[(4-nitrophenyl)sulfonylamino]benzoate.
Chemical Property Profile of Ethyl 2-[({4-nitrophenyl}sulfonyl)amino]benzoate
Property Insights of Ethyl 2-[({4-nitrophenyl}sulfonyl)amino]benzoate
The XLogP value of 2.5723 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[({4-nitrophenyl}sulfonyl)amino]benzoate. The TPSA of 115.61 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[({4-nitrophenyl}sulfonyl)amino]benzoate. Following Lipinski's Rule of Five, Ethyl 2-[({4-nitrophenyl}sulfonyl)amino]benzoate has 1 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 Ethyl 2-[({4-nitrophenyl}sulfonyl)amino]benzoate?
The CAS number of Ethyl 2-[({4-nitrophenyl}sulfonyl)amino]benzoate is 330468-48-9.
What is the molecular formula of Ethyl 2-[({4-nitrophenyl}sulfonyl)amino]benzoate?
The molecular formula of Ethyl 2-[({4-nitrophenyl}sulfonyl)amino]benzoate is C15H14N2O6S.
What is the molecular weight of Ethyl 2-[({4-nitrophenyl}sulfonyl)amino]benzoate?
The molecular weight of Ethyl 2-[({4-nitrophenyl}sulfonyl)amino]benzoate is 350.06 g/mol.
Where can I buy Ethyl 2-[({4-nitrophenyl}sulfonyl)amino]benzoate?
You can request a quote for Ethyl 2-[({4-nitrophenyl}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 2-[({4-nitrophenyl}sulfonyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[({4-nitrophenyl}sulfonyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.