4-Chloro-2-(trifluoromethyl)benzene-1-sulfonyl chloride
TL;DR: 4-Chloro-2-(trifluoromethyl)benzene-1-sulfonyl chloride (CAS 54090-42-5) is a chemical compound with molecular formula C7H3Cl2F3O2S and molecular weight 277.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-(trifluoromethyl)benzenesulfonyl chloride
Also Known As: 4-Chloro-2-(trifluoromethyl)benzene-1-sulfonyl chloride, 4-chloro-2-(trifluoromethyl)benzenesulfonyl Chloride, Hexamethylphosphorous triamide, 4-Chloro-2-(trifluoromethyl)phenylsulfonyl chloride, 4-CHLORO-2- BENZENESULFONYLCHLORIDE
| Molecular Formula | C7H3Cl2F3O2S |
|---|---|
| Molecular Weight | 277.92 g/mol |
| LogP | 3.2863 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 277.9183 |
| Heavy Atoms | 15 |
| Complexity | 481.49893 |
Chemical Identifiers
| CAS Number | 54090-42-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)C(F)(F)F)S(=O)(=O)Cl |
Product Overview
4-Chloro-2-(trifluoromethyl)benzene-1-sulfonyl chloride (CAS 54090-42-5), with molecular formula C7H3Cl2F3O2S and molecular weight 277.92 g/mol. IUPAC: 4-chloro-2-(trifluoromethyl)benzenesulfonyl chloride.
Chemical Property Profile of 4-Chloro-2-(trifluoromethyl)benzene-1-sulfonyl chloride
Property Insights of 4-Chloro-2-(trifluoromethyl)benzene-1-sulfonyl chloride
The XLogP value of 3.2863 indicates that 4-Chloro-2-(trifluoromethyl)benzene-1-sulfonyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, 4-Chloro-2-(trifluoromethyl)benzene-1-sulfonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-(trifluoromethyl)benzene-1-sulfonyl chloride has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Chloro-2-(trifluoromethyl)benzene-1-sulfonyl chloride?
The CAS number of 4-Chloro-2-(trifluoromethyl)benzene-1-sulfonyl chloride is 54090-42-5.
What is the molecular formula of 4-Chloro-2-(trifluoromethyl)benzene-1-sulfonyl chloride?
The molecular formula of 4-Chloro-2-(trifluoromethyl)benzene-1-sulfonyl chloride is C7H3Cl2F3O2S.
What is the molecular weight of 4-Chloro-2-(trifluoromethyl)benzene-1-sulfonyl chloride?
The molecular weight of 4-Chloro-2-(trifluoromethyl)benzene-1-sulfonyl chloride is 277.92 g/mol.
Where can I buy 4-Chloro-2-(trifluoromethyl)benzene-1-sulfonyl chloride?
You can request a quote for 4-Chloro-2-(trifluoromethyl)benzene-1-sulfonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-(trifluoromethyl)benzene-1-sulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-(trifluoromethyl)benzene-1-sulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.