3-cyano-4-ethoxy-N-(3-fluoro-2-methylphenyl)benzenesulfonamide
TL;DR: 3-cyano-4-ethoxy-N-(3-fluoro-2-methylphenyl)benzenesulfonamide (CAS 728030-26-0) is a chemical compound with molecular formula C16H15FN2O3S and molecular weight 334.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cyano-4-ethoxy-N-(3-fluoro-2-methylphenyl)benzenesulfonamide
Also Known As: 3-cyano-4-ethoxy-N-(3-fluoro-2-methylphenyl)benzenesulfonamide, A3868/0164331, 2-ethoxy-5-{[(3-fluoro-2-methylphenyl)amino]sulfonyl}benzenecarbonitrile, 3-CYANO-4-ETHOXY-N-(3-FLUORO-2-METHYLPHENYL)BENZENE-1-SULFONAMIDE
| Molecular Formula | C16H15FN2O3S |
|---|---|
| Molecular Weight | 334.08 g/mol |
| LogP | 3.2053 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 334.07874 |
| Heavy Atoms | 23 |
| Complexity | 873.37946 |
Chemical Identifiers
| CAS Number | 728030-26-0 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C(=CC=C2)F)C)C#N |
Product Overview
3-cyano-4-ethoxy-N-(3-fluoro-2-methylphenyl)benzenesulfonamide (CAS 728030-26-0), with molecular formula C16H15FN2O3S and molecular weight 334.08 g/mol. IUPAC: 3-cyano-4-ethoxy-N-(3-fluoro-2-methylphenyl)benzenesulfonamide.
Chemical Property Profile of 3-cyano-4-ethoxy-N-(3-fluoro-2-methylphenyl)benzenesulfonamide
Property Insights of 3-cyano-4-ethoxy-N-(3-fluoro-2-methylphenyl)benzenesulfonamide
The XLogP value of 3.2053 indicates that 3-cyano-4-ethoxy-N-(3-fluoro-2-methylphenyl)benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-cyano-4-ethoxy-N-(3-fluoro-2-methylphenyl)benzenesulfonamide. Following Lipinski's Rule of Five, 3-cyano-4-ethoxy-N-(3-fluoro-2-methylphenyl)benzenesulfonamide 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 3-cyano-4-ethoxy-N-(3-fluoro-2-methylphenyl)benzenesulfonamide?
The CAS number of 3-cyano-4-ethoxy-N-(3-fluoro-2-methylphenyl)benzenesulfonamide is 728030-26-0.
What is the molecular formula of 3-cyano-4-ethoxy-N-(3-fluoro-2-methylphenyl)benzenesulfonamide?
The molecular formula of 3-cyano-4-ethoxy-N-(3-fluoro-2-methylphenyl)benzenesulfonamide is C16H15FN2O3S.
What is the molecular weight of 3-cyano-4-ethoxy-N-(3-fluoro-2-methylphenyl)benzenesulfonamide?
The molecular weight of 3-cyano-4-ethoxy-N-(3-fluoro-2-methylphenyl)benzenesulfonamide is 334.08 g/mol.
Where can I buy 3-cyano-4-ethoxy-N-(3-fluoro-2-methylphenyl)benzenesulfonamide?
You can request a quote for 3-cyano-4-ethoxy-N-(3-fluoro-2-methylphenyl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-cyano-4-ethoxy-N-(3-fluoro-2-methylphenyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 3-cyano-4-ethoxy-N-(3-fluoro-2-methylphenyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.