N-tert-butyl-2,4,6-trimethylbenzenesulfonamide
TL;DR: N-tert-butyl-2,4,6-trimethylbenzenesulfonamide (CAS 161452-12-6) is a chemical compound with molecular formula C13H21NO2S and molecular weight 255.1293 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-tert-butyl-2,4,6-trimethylbenzenesulfonamide
Also Known As: N-tert-butyl-2,4,6-trimethylbenzenesulfonamide, tert-butyl(mesitylenesulfonyl)amide, N-tert-butyl-2,4,6-trimethylbenzene-1-sulfonamide, Benzenesulfonamide, N-(1,1-dimethylethyl)-2,4,6-trimethyl-, 2,4,6-trimethyl-N-tert-butyl-benzenesulfonamide
Technical Specifications
| Molecular Formula | C13H21NO2S |
| Molecular Weight | 255.1293 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.1293 Da |
| Heavy Atoms | 17 |
| Complexity | 339.0 |
| SMILES | CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(C)(C)C)C |
| InChIKey | PSKKPGVWFYBAIT-UHFFFAOYSA-N |
Chemical Property Profile of N-tert-butyl-2,4,6-trimethylbenzenesulfonamide
Property Insights of N-tert-butyl-2,4,6-trimethylbenzenesulfonamide
The XLogP value of 3.0 indicates that N-tert-butyl-2,4,6-trimethylbenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.6 Ų, N-tert-butyl-2,4,6-trimethylbenzenesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-tert-butyl-2,4,6-trimethylbenzenesulfonamide has 1 hydrogen bond donor(s) and 3 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-tert-butyl-2,4,6-trimethylbenzenesulfonamide?
The CAS number of N-tert-butyl-2,4,6-trimethylbenzenesulfonamide is 161452-12-6.
What is the molecular formula of N-tert-butyl-2,4,6-trimethylbenzenesulfonamide?
The molecular formula of N-tert-butyl-2,4,6-trimethylbenzenesulfonamide is C13H21NO2S.
What is the molecular weight of N-tert-butyl-2,4,6-trimethylbenzenesulfonamide?
The molecular weight of N-tert-butyl-2,4,6-trimethylbenzenesulfonamide is 255.1293 g/mol.
Where can I buy N-tert-butyl-2,4,6-trimethylbenzenesulfonamide?
You can request a quote for N-tert-butyl-2,4,6-trimethylbenzenesulfonamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-tert-butyl-2,4,6-trimethylbenzenesulfonamide?
Yes, CoreyChem provides custom synthesis services for N-tert-butyl-2,4,6-trimethylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.