TL;DR: p-(Trifluoromethoxy)benzenesulphonyl chloride (CAS 140681-55-6) is a chemical compound with molecular formula C7H4ClF3O3S and molecular weight 259.95218 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(trifluoromethoxy)benzenesulfonyl chloride
Also Known As: 4-(Trifluoromethoxy)benzenesulfonyl chloride, 4-(trifluoromethoxy)benzene-1-sulfonyl chloride, Benzenesulfonyl chloride, 4-(trifluoromethoxy)-, EINECS 302-397-9, p-(Trifluoromethoxy)benzenesulphonyl chloride
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C7H4ClF3O3S |
| Molecular Weight | 259.95218 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 1 |
| Exact Mass | 354.08878 Da |
| Heavy Atoms | 21 |
| Complexity | 168.0 |
| SMILES | C1=CC(=CC=C1OC(F)(F)F)S(=O)(=O)Cl |
| InChIKey | UHCDBMIOLNKDHG-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that p-(Trifluoromethoxy)benzenesulphonyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, p-(Trifluoromethoxy)benzenesulphonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-(Trifluoromethoxy)benzenesulphonyl chloride has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of p-(Trifluoromethoxy)benzenesulphonyl chloride is 140681-55-6.
The molecular formula of p-(Trifluoromethoxy)benzenesulphonyl chloride is C7H4ClF3O3S.
The molecular weight of p-(Trifluoromethoxy)benzenesulphonyl chloride is 259.95218 g/mol.
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