2-(Phenylsulfonyl)-3-(3-(trifluoromethyl)phenyl)prop-2-enenitrile
TL;DR: 2-(Phenylsulfonyl)-3-(3-(trifluoromethyl)phenyl)prop-2-enenitrile (CAS 1025308-30-8) is a chemical compound with molecular formula C16H10F3NO2S and molecular weight 337.03842 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(benzenesulfonyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile
Also Known As: 2-(PHENYLSULFONYL)-3-(3-(TRIFLUOROMETHYL)PHENYL)PROP-2-ENENITRILE, 2-(benzenesulfonyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile, (2E)-2-(benzenesulfonyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile
Technical Specifications
| Molecular Formula | C16H10F3NO2S |
| Molecular Weight | 337.03842 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 66.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.03842 Da |
| Heavy Atoms | 23 |
| Complexity | 589.0 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC(=CC=C2)C(F)(F)F)C#N |
| InChIKey | OMJDPQGMBJGAFN-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Phenylsulfonyl)-3-(3-(trifluoromethyl)phenyl)prop-2-enenitrile
Property Insights of 2-(Phenylsulfonyl)-3-(3-(trifluoromethyl)phenyl)prop-2-enenitrile
The XLogP value of 4.0 indicates that 2-(Phenylsulfonyl)-3-(3-(trifluoromethyl)phenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Phenylsulfonyl)-3-(3-(trifluoromethyl)phenyl)prop-2-enenitrile. Following Lipinski's Rule of Five, 2-(Phenylsulfonyl)-3-(3-(trifluoromethyl)phenyl)prop-2-enenitrile has 0 hydrogen bond donor(s) and 6 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-(Phenylsulfonyl)-3-(3-(trifluoromethyl)phenyl)prop-2-enenitrile?
The CAS number of 2-(Phenylsulfonyl)-3-(3-(trifluoromethyl)phenyl)prop-2-enenitrile is 1025308-30-8.
What is the molecular formula of 2-(Phenylsulfonyl)-3-(3-(trifluoromethyl)phenyl)prop-2-enenitrile?
The molecular formula of 2-(Phenylsulfonyl)-3-(3-(trifluoromethyl)phenyl)prop-2-enenitrile is C16H10F3NO2S.
What is the molecular weight of 2-(Phenylsulfonyl)-3-(3-(trifluoromethyl)phenyl)prop-2-enenitrile?
The molecular weight of 2-(Phenylsulfonyl)-3-(3-(trifluoromethyl)phenyl)prop-2-enenitrile is 337.03842 g/mol.
Where can I buy 2-(Phenylsulfonyl)-3-(3-(trifluoromethyl)phenyl)prop-2-enenitrile?
You can request a quote for 2-(Phenylsulfonyl)-3-(3-(trifluoromethyl)phenyl)prop-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Phenylsulfonyl)-3-(3-(trifluoromethyl)phenyl)prop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for 2-(Phenylsulfonyl)-3-(3-(trifluoromethyl)phenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.