![2-(4-chlorophenyl)sulfonyl-3-[4-fluoro-2-(trifluoromethyl)anilino]prop-2-enenitrile structure](/static/products/1025/1025257-47-9.webp)
2-(4-chlorophenyl)sulfonyl-3-[4-fluoro-2-(trifluoromethyl)anilino]prop-2-enenitrile
TL;DR: 2-(4-chlorophenyl)sulfonyl-3-[4-fluoro-2-(trifluoromethyl)anilino]prop-2-enenitrile (CAS 1025257-47-9) is a chemical compound with molecular formula C16H9ClF4N2O2S and molecular weight 404.00095 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chlorophenyl)sulfonyl-3-[4-fluoro-2-(trifluoromethyl)anilino]prop-2-enenitrile
Also Known As: 2-(4-chlorophenyl)sulfonyl-3-[4-fluoro-2-(trifluoromethyl)anilino]prop-2-enenitrile, 2-((4-CHLOROPHENYL)SULFONYL)-3-((4-FLUORO-2-(TRIFLUOROMETHYL)PHENYL)AMINO)PROP-2-ENENITRILE, (Z)-2-[(4-chlorophenyl)sulfonyl]-3-[4-fluoro-2-(trifluoromethyl)anilino]-2-propenenitrile, 2-(4-chlorophenyl)sulfonyl-3-[[4-fluoro-2-(trifluoromethyl)phenyl]amino]prop-2-enenitrile
Technical Specifications
| Molecular Formula | C16H9ClF4N2O2S |
| Molecular Weight | 404.00095 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 78.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.00095 Da |
| Heavy Atoms | 26 |
| Complexity | 673.0 |
| SMILES | C1=CC(=CC=C1S(=O)(=O)C(=CNC2=C(C=C(C=C2)F)C(F)(F)F)C#N)Cl |
| InChIKey | XQYNKLIRPQXQRM-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-chlorophenyl)sulfonyl-3-[4-fluoro-2-(trifluoromethyl)anilino]prop-2-enenitrile
Property Insights of 2-(4-chlorophenyl)sulfonyl-3-[4-fluoro-2-(trifluoromethyl)anilino]prop-2-enenitrile
The XLogP value of 4.9 indicates that 2-(4-chlorophenyl)sulfonyl-3-[4-fluoro-2-(trifluoromethyl)anilino]prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-chlorophenyl)sulfonyl-3-[4-fluoro-2-(trifluoromethyl)anilino]prop-2-enenitrile. Following Lipinski's Rule of Five, 2-(4-chlorophenyl)sulfonyl-3-[4-fluoro-2-(trifluoromethyl)anilino]prop-2-enenitrile has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(4-chlorophenyl)sulfonyl-3-[4-fluoro-2-(trifluoromethyl)anilino]prop-2-enenitrile?
The CAS number of 2-(4-chlorophenyl)sulfonyl-3-[4-fluoro-2-(trifluoromethyl)anilino]prop-2-enenitrile is 1025257-47-9.
What is the molecular formula of 2-(4-chlorophenyl)sulfonyl-3-[4-fluoro-2-(trifluoromethyl)anilino]prop-2-enenitrile?
The molecular formula of 2-(4-chlorophenyl)sulfonyl-3-[4-fluoro-2-(trifluoromethyl)anilino]prop-2-enenitrile is C16H9ClF4N2O2S.
What is the molecular weight of 2-(4-chlorophenyl)sulfonyl-3-[4-fluoro-2-(trifluoromethyl)anilino]prop-2-enenitrile?
The molecular weight of 2-(4-chlorophenyl)sulfonyl-3-[4-fluoro-2-(trifluoromethyl)anilino]prop-2-enenitrile is 404.00095 g/mol.
Where can I buy 2-(4-chlorophenyl)sulfonyl-3-[4-fluoro-2-(trifluoromethyl)anilino]prop-2-enenitrile?
You can request a quote for 2-(4-chlorophenyl)sulfonyl-3-[4-fluoro-2-(trifluoromethyl)anilino]prop-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-chlorophenyl)sulfonyl-3-[4-fluoro-2-(trifluoromethyl)anilino]prop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for 2-(4-chlorophenyl)sulfonyl-3-[4-fluoro-2-(trifluoromethyl)anilino]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.