N-benzyl-1,1,1-trifluoromethanesulphonamide
TL;DR: N-benzyl-1,1,1-trifluoromethanesulphonamide (CAS 36457-58-6) is a chemical compound with molecular formula C8H8F3NO2S and molecular weight 239.02278 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-benzyl-1,1,1-trifluoromethanesulfonamide
Also Known As: N-benzyl-1,1,1-trifluoromethanesulfonamide, N-Benzyltriflamide, N-BENZYLTRIFLUOROMETHANESULFONAMIDE, Ethyl2-bromohexanoate, N-Benzyltrifluoromethanesulphonamide
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H8F3NO2S |
| Molecular Weight | 239.02278 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.02278 Da |
| Heavy Atoms | 15 |
| Complexity | 288.0 |
| SMILES | C1=CC=C(C=C1)CNS(=O)(=O)C(F)(F)F |
| InChIKey | IJHVVEQTOXFGCL-UHFFFAOYSA-N |
Chemical Property Profile of N-benzyl-1,1,1-trifluoromethanesulphonamide
Property Insights of N-benzyl-1,1,1-trifluoromethanesulphonamide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-1,1,1-trifluoromethanesulphonamide. With a topological polar surface area (TPSA) of 54.6 Ų, N-benzyl-1,1,1-trifluoromethanesulphonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-1,1,1-trifluoromethanesulphonamide 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-benzyl-1,1,1-trifluoromethanesulphonamide?
The CAS number of N-benzyl-1,1,1-trifluoromethanesulphonamide is 36457-58-6.
What is the molecular formula of N-benzyl-1,1,1-trifluoromethanesulphonamide?
The molecular formula of N-benzyl-1,1,1-trifluoromethanesulphonamide is C8H8F3NO2S.
What is the molecular weight of N-benzyl-1,1,1-trifluoromethanesulphonamide?
The molecular weight of N-benzyl-1,1,1-trifluoromethanesulphonamide is 239.02278 g/mol.
Where can I buy N-benzyl-1,1,1-trifluoromethanesulphonamide?
You can request a quote for N-benzyl-1,1,1-trifluoromethanesulphonamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-benzyl-1,1,1-trifluoromethanesulphonamide?
Yes, CoreyChem provides custom synthesis services for N-benzyl-1,1,1-trifluoromethanesulphonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.