4-Chloro-2-(trifluoromethyl)benzenesulfonamide
TL;DR: 4-Chloro-2-(trifluoromethyl)benzenesulfonamide (CAS 113823-98-6) is a chemical compound with molecular formula C7H5ClF3NO2S and molecular weight 258.96817 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-2-(trifluoromethyl)benzenesulfonamide
Also Known As: 4-chloro-2-(trifluoromethyl)benzenesulfonamide, 9101AC, 4-chloro-2-(trifluoromethyl)benzene-1-sulfonamide, 4-Chloro-2-(trifluoromethyl)benzene sulfonamide, 4-chloro-2-trifluoromethylbenzenesulfonamide
Technical Specifications
| Molecular Formula | C7H5ClF3NO2S |
| Molecular Weight | 258.96817 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.96817 Da |
| Heavy Atoms | 15 |
| Complexity | 324.0 |
| SMILES | C1=CC(=C(C=C1Cl)C(F)(F)F)S(=O)(=O)N |
| InChIKey | METGLOFBFMWSPL-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chloro-2-(trifluoromethyl)benzenesulfonamide
Property Insights of 4-Chloro-2-(trifluoromethyl)benzenesulfonamide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-(trifluoromethyl)benzenesulfonamide. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-2-(trifluoromethyl)benzenesulfonamide. Following Lipinski's Rule of Five, 4-Chloro-2-(trifluoromethyl)benzenesulfonamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Chloro-2-(trifluoromethyl)benzenesulfonamide?
The CAS number of 4-Chloro-2-(trifluoromethyl)benzenesulfonamide is 113823-98-6.
What is the molecular formula of 4-Chloro-2-(trifluoromethyl)benzenesulfonamide?
The molecular formula of 4-Chloro-2-(trifluoromethyl)benzenesulfonamide is C7H5ClF3NO2S.
What is the molecular weight of 4-Chloro-2-(trifluoromethyl)benzenesulfonamide?
The molecular weight of 4-Chloro-2-(trifluoromethyl)benzenesulfonamide is 258.96817 g/mol.
Where can I buy 4-Chloro-2-(trifluoromethyl)benzenesulfonamide?
You can request a quote for 4-Chloro-2-(trifluoromethyl)benzenesulfonamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-2-(trifluoromethyl)benzenesulfonamide?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-2-(trifluoromethyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.