N-tert-butyl-1-chloromethanesulfonamide
TL;DR: N-tert-butyl-1-chloromethanesulfonamide (CAS 115719-94-3) is a chemical compound with molecular formula C5H12ClNO2S and molecular weight 185.02773 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-tert-butyl-1-chloromethanesulfonamide
Also Known As: N-tert-butyl-1-chloromethanesulfonamide, N-tert-butyl-1-chloro-methanesulfonamide, N-tert-butyl-C-chloro-methanesulfonamide, N-(TERT-BUTYL)-1-CHLOROMETHANESULFONAMIDE, Methanesulfonamide, 1-chloro-N-(1,1-dimethylethyl)-
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H12ClNO2S |
| Molecular Weight | 185.02773 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 185.02773 Da |
| Heavy Atoms | 10 |
| Complexity | 187.0 |
| SMILES | CC(C)(C)NS(=O)(=O)CCl |
| InChIKey | VZAHIKRUKJZYOE-UHFFFAOYSA-N |
Chemical Property Profile of N-tert-butyl-1-chloromethanesulfonamide
Property Insights of N-tert-butyl-1-chloromethanesulfonamide
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-tert-butyl-1-chloromethanesulfonamide. With a topological polar surface area (TPSA) of 54.6 Ų, N-tert-butyl-1-chloromethanesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-tert-butyl-1-chloromethanesulfonamide 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-1-chloromethanesulfonamide?
The CAS number of N-tert-butyl-1-chloromethanesulfonamide is 115719-94-3.
What is the molecular formula of N-tert-butyl-1-chloromethanesulfonamide?
The molecular formula of N-tert-butyl-1-chloromethanesulfonamide is C5H12ClNO2S.
What is the molecular weight of N-tert-butyl-1-chloromethanesulfonamide?
The molecular weight of N-tert-butyl-1-chloromethanesulfonamide is 185.02773 g/mol.
Where can I buy N-tert-butyl-1-chloromethanesulfonamide?
You can request a quote for N-tert-butyl-1-chloromethanesulfonamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-tert-butyl-1-chloromethanesulfonamide?
Yes, CoreyChem provides custom synthesis services for N-tert-butyl-1-chloromethanesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.