TL;DR: 2-((4-CHLOROPHENYL)SULFONYL)-3-(2-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL)OXY)-3-METHOXYPHENYL)PROP-2-ENENITRILE (CAS 1025615-35-3) is a chemical compound with molecular formula C22H13Cl2F3N2O4S and molecular weight 527.9925 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chlorophenyl)sulfonyl-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methoxyphenyl]prop-2-enenitrile
Also Known As: 2-((4-CHLOROPHENYL)SULFONYL)-3-(2-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL)OXY)-3-METHOXYPHENYL)PROP-2-ENENITRILE, (E)-2-[(4-chlorophenyl)sulfonyl]-3-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}-3-methoxyphenyl)-2-propenenitrile, 2-(4-chlorophenyl)sulfonyl-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]-3-methoxy-phenyl]prop-2-enenitrile, 2-(4-chlorophenyl)sulfonyl-3-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy-3-methoxyphenyl]prop-2-enenitrile, C22H13Cl2F3N2O4S
| Molecular Formula | C22H13Cl2F3N2O4S |
| Molecular Weight | 527.9925 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 97.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 527.9925 Da |
| Heavy Atoms | 34 |
| Complexity | 879.0 |
| SMILES | COC1=CC=CC(=C1OC2=C(C=C(C=N2)C(F)(F)F)Cl)C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)Cl |
| InChIKey | XIXXJXXOZJDLMA-UHFFFAOYSA-N |
The XLogP value of 6.0 indicates that 2-((4-CHLOROPHENYL)SULFONYL)-3-(2-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL)OXY)-3-METHOXYPHENYL)PROP-2-ENENITRILE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-CHLOROPHENYL)SULFONYL)-3-(2-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL)OXY)-3-METHOXYPHENYL)PROP-2-ENENITRILE. Following Lipinski's Rule of Five, 2-((4-CHLOROPHENYL)SULFONYL)-3-(2-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL)OXY)-3-METHOXYPHENYL)PROP-2-ENENITRILE has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-((4-CHLOROPHENYL)SULFONYL)-3-(2-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL)OXY)-3-METHOXYPHENYL)PROP-2-ENENITRILE is 1025615-35-3.
The molecular formula of 2-((4-CHLOROPHENYL)SULFONYL)-3-(2-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL)OXY)-3-METHOXYPHENYL)PROP-2-ENENITRILE is C22H13Cl2F3N2O4S.
The molecular weight of 2-((4-CHLOROPHENYL)SULFONYL)-3-(2-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL)OXY)-3-METHOXYPHENYL)PROP-2-ENENITRILE is 527.9925 g/mol.
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