TL;DR: 2-(2,4-Dichlorophenyl)sulfonyl-3-[4-(trifluoromethoxy)anilino]prop-2-enenitrile (CAS 1025255-36-0) is a chemical compound with molecular formula C16H9Cl2F3N2O3S and molecular weight 435.9663 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,4-dichlorophenyl)sulfonyl-3-[4-(trifluoromethoxy)anilino]prop-2-enenitrile
Also Known As: 2-((2,4-DICHLOROPHENYL)SULFONYL)-3-((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)PROP-2-ENENITRILE, 2-(2,4-dichlorophenyl)sulfonyl-3-[4-(trifluoromethoxy)anilino]prop-2-enenitrile, (E)-2-(2,4-dichlorophenyl)sulfonyl-3-[4-(trifluoromethoxy)anilino]prop-2-enenitrile, 2-(2,4-dichlorophenyl)sulfonyl-3-[[4-(trifluoromethoxy)phenyl]amino]prop-2-enenitrile, C16H9Cl2F3N2O3S
| Molecular Formula | C16H9Cl2F3N2O3S |
| Molecular Weight | 435.9663 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 87.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 435.9663 Da |
| Heavy Atoms | 27 |
| Complexity | 692.0 |
| SMILES | C1=CC(=CC=C1NC=C(C#N)S(=O)(=O)C2=C(C=C(C=C2)Cl)Cl)OC(F)(F)F |
| InChIKey | BUDKXFIKWCULNO-UHFFFAOYSA-N |
The XLogP value of 5.8 indicates that 2-(2,4-Dichlorophenyl)sulfonyl-3-[4-(trifluoromethoxy)anilino]prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,4-Dichlorophenyl)sulfonyl-3-[4-(trifluoromethoxy)anilino]prop-2-enenitrile. Following Lipinski's Rule of Five, 2-(2,4-Dichlorophenyl)sulfonyl-3-[4-(trifluoromethoxy)anilino]prop-2-enenitrile has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-(2,4-Dichlorophenyl)sulfonyl-3-[4-(trifluoromethoxy)anilino]prop-2-enenitrile is 1025255-36-0.
The molecular formula of 2-(2,4-Dichlorophenyl)sulfonyl-3-[4-(trifluoromethoxy)anilino]prop-2-enenitrile is C16H9Cl2F3N2O3S.
The molecular weight of 2-(2,4-Dichlorophenyl)sulfonyl-3-[4-(trifluoromethoxy)anilino]prop-2-enenitrile is 435.9663 g/mol.
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