TL;DR: 2,4,5-Trichlorobenzenesulfonyl chloride (CAS 15945-07-0) is a chemical compound with molecular formula C6H2Cl4O2S and molecular weight 277.85297 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4,5-trichlorobenzenesulfonyl chloride
Also Known As: 2,4,5-TRICHLOROBENZENESULFONYL CHLORIDE, 2,4,5-trichlorobenzene-1-sulfonyl chloride, 4-Fluorothioanisole, Benzenesulfonyl chloride, 2,4,5-trichloro-, 2,4,5-trichlorophenylsulfonyl chloride
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C6H2Cl4O2S |
| Molecular Weight | 277.85297 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 279.85 Da |
| Heavy Atoms | 13 |
| Complexity | 273.0 |
| SMILES | C1=C(C(=CC(=C1Cl)Cl)Cl)S(=O)(=O)Cl |
| InChIKey | WNVVRCKTQSCPAC-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 2,4,5-Trichlorobenzenesulfonyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, 2,4,5-Trichlorobenzenesulfonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,5-Trichlorobenzenesulfonyl chloride has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,4,5-Trichlorobenzenesulfonyl chloride is 15945-07-0.
The molecular formula of 2,4,5-Trichlorobenzenesulfonyl chloride is C6H2Cl4O2S.
The molecular weight of 2,4,5-Trichlorobenzenesulfonyl chloride is 277.85297 g/mol.
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