N-(1,1-Dimethylethyl)-4-(trifluoromethyl)benzenesulfonamide
TL;DR: N-(1,1-Dimethylethyl)-4-(trifluoromethyl)benzenesulfonamide (CAS 1372629-25-8) is a chemical compound with molecular formula C11H14F3NO2S and molecular weight 281.06973 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-tert-butyl-4-(trifluoromethyl)benzenesulfonamide
Also Known As: N-tert-butyl-4-(trifluoromethyl)benzene-1-sulfonamide, N-tert-butyl-4-(trifluoromethyl)benzenesulfonamide, N-(1,1-Dimethylethyl)-4-(trifluoromethyl)benzenesulfonamide
Technical Specifications
| Molecular Formula | C11H14F3NO2S |
| Molecular Weight | 281.06973 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.06973 Da |
| Heavy Atoms | 18 |
| Complexity | 371.0 |
| SMILES | CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)C(F)(F)F |
| InChIKey | ZXBYMRXBWVSVOH-UHFFFAOYSA-N |
Chemical Property Profile of N-(1,1-Dimethylethyl)-4-(trifluoromethyl)benzenesulfonamide
Property Insights of N-(1,1-Dimethylethyl)-4-(trifluoromethyl)benzenesulfonamide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,1-Dimethylethyl)-4-(trifluoromethyl)benzenesulfonamide. With a topological polar surface area (TPSA) of 54.6 Ų, N-(1,1-Dimethylethyl)-4-(trifluoromethyl)benzenesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,1-Dimethylethyl)-4-(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 N-(1,1-Dimethylethyl)-4-(trifluoromethyl)benzenesulfonamide?
The CAS number of N-(1,1-Dimethylethyl)-4-(trifluoromethyl)benzenesulfonamide is 1372629-25-8.
What is the molecular formula of N-(1,1-Dimethylethyl)-4-(trifluoromethyl)benzenesulfonamide?
The molecular formula of N-(1,1-Dimethylethyl)-4-(trifluoromethyl)benzenesulfonamide is C11H14F3NO2S.
What is the molecular weight of N-(1,1-Dimethylethyl)-4-(trifluoromethyl)benzenesulfonamide?
The molecular weight of N-(1,1-Dimethylethyl)-4-(trifluoromethyl)benzenesulfonamide is 281.06973 g/mol.
Where can I buy N-(1,1-Dimethylethyl)-4-(trifluoromethyl)benzenesulfonamide?
You can request a quote for N-(1,1-Dimethylethyl)-4-(trifluoromethyl)benzenesulfonamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(1,1-Dimethylethyl)-4-(trifluoromethyl)benzenesulfonamide?
Yes, CoreyChem provides custom synthesis services for N-(1,1-Dimethylethyl)-4-(trifluoromethyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.