TL;DR: Methanesulfonamide, N-[4-(1,1-dimethylethyl)phenyl]-1,1,1-trifluoro- (CAS 122130-87-4) 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-(4-tert-butylphenyl)-1,1,1-trifluoromethanesulfonamide
Also Known As: Methanesulfonamide, N-[4-(1,1-dimethylethyl)phenyl]-1,1,1-trifluoro-, N-[4-tert-Butylphenyl]trifluoromethanesulfonamide, N-(4-TERT-BUTYLPHENYL)-1,1,1-TRIFLUOROMETHANESULFONAMIDE, 1,1,1-trifluoro-N-(4-tert-butylphenyl)methanesulfonamide, Methanesulfonamide,N-[4-(1,1-dimethylethyl)phenyl]-1,1,1-trifluoro
| Molecular Formula | C11H14F3NO2S |
| Molecular Weight | 281.06973 g/mol |
| XLogP | 4.9 |
| 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)C1=CC=C(C=C1)NS(=O)(=O)C(F)(F)F |
| InChIKey | RQXNBEXGKODZLP-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that Methanesulfonamide, N-[4-(1,1-dimethylethyl)phenyl]-1,1,1-trifluoro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.6 Ų, Methanesulfonamide, N-[4-(1,1-dimethylethyl)phenyl]-1,1,1-trifluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methanesulfonamide, N-[4-(1,1-dimethylethyl)phenyl]-1,1,1-trifluoro- has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Methanesulfonamide, N-[4-(1,1-dimethylethyl)phenyl]-1,1,1-trifluoro- is 122130-87-4.
The molecular formula of Methanesulfonamide, N-[4-(1,1-dimethylethyl)phenyl]-1,1,1-trifluoro- is C11H14F3NO2S.
The molecular weight of Methanesulfonamide, N-[4-(1,1-dimethylethyl)phenyl]-1,1,1-trifluoro- is 281.06973 g/mol.
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