TL;DR: (2E,4E)-2-[(4-chlorophenyl)sulfonyl]-5-(4-methoxyphenyl)-2,4-pentadienenitrile (CAS 1024714-51-9) is a chemical compound with molecular formula C18H14ClNO3S and molecular weight 359.0383 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chlorophenyl)sulfonyl-5-(4-methoxyphenyl)penta-2,4-dienenitrile
Also Known As: 2-(4-chlorophenyl)sulfonyl-5-(4-methoxyphenyl)penta-2,4-dienenitrile, (2E,4E)-2-[(4-chlorophenyl)sulfonyl]-5-(4-methoxyphenyl)-2,4-pentadienenitrile, (2E,4E)-2-(4-chlorobenzenesulfonyl)-5-(4-methoxyphenyl)penta-2,4-dienenitrile, 2-((4-CHLOROPHENYL)SULFONYL)-5-(4-METHOXYPHENYL)PENTA-2,4-DIENENITRILE
| Molecular Formula | C18H14ClNO3S |
| Molecular Weight | 359.0383 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 75.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.0383 Da |
| Heavy Atoms | 24 |
| Complexity | 610.0 |
| SMILES | COC1=CC=C(C=C1)C=CC=C(C#N)S(=O)(=O)C2=CC=C(C=C2)Cl |
| InChIKey | BIEPCFKTWQJQTO-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that (2E,4E)-2-[(4-chlorophenyl)sulfonyl]-5-(4-methoxyphenyl)-2,4-pentadienenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E,4E)-2-[(4-chlorophenyl)sulfonyl]-5-(4-methoxyphenyl)-2,4-pentadienenitrile. Following Lipinski's Rule of Five, (2E,4E)-2-[(4-chlorophenyl)sulfonyl]-5-(4-methoxyphenyl)-2,4-pentadienenitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2E,4E)-2-[(4-chlorophenyl)sulfonyl]-5-(4-methoxyphenyl)-2,4-pentadienenitrile is 1024714-51-9.
The molecular formula of (2E,4E)-2-[(4-chlorophenyl)sulfonyl]-5-(4-methoxyphenyl)-2,4-pentadienenitrile is C18H14ClNO3S.
The molecular weight of (2E,4E)-2-[(4-chlorophenyl)sulfonyl]-5-(4-methoxyphenyl)-2,4-pentadienenitrile is 359.0383 g/mol.
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