N-butyl-3-cyanobenzenesulfonamide
TL;DR: N-butyl-3-cyanobenzenesulfonamide (CAS 1016493-25-6) is a chemical compound with molecular formula C11H14N2O2S and molecular weight 238.0776 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-butyl-3-cyanobenzenesulfonamide
Also Known As: N-butyl-3-cyanobenzenesulfonamide, N-butyl-3-cyanobenzene-1-sulfonamide, 3-Cyano-N-butylbenzenesulfonamide
Technical Specifications
| Molecular Formula | C11H14N2O2S |
| Molecular Weight | 238.0776 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 78.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 238.0776 Da |
| Heavy Atoms | 16 |
| Complexity | 350.0 |
| SMILES | CCCCNS(=O)(=O)C1=CC=CC(=C1)C#N |
| InChIKey | XARRNYQCHQJPMD-UHFFFAOYSA-N |
Chemical Property Profile of N-butyl-3-cyanobenzenesulfonamide
Property Insights of N-butyl-3-cyanobenzenesulfonamide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butyl-3-cyanobenzenesulfonamide. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-butyl-3-cyanobenzenesulfonamide. Following Lipinski's Rule of Five, N-butyl-3-cyanobenzenesulfonamide has 1 hydrogen bond donor(s) and 4 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-butyl-3-cyanobenzenesulfonamide?
The CAS number of N-butyl-3-cyanobenzenesulfonamide is 1016493-25-6.
What is the molecular formula of N-butyl-3-cyanobenzenesulfonamide?
The molecular formula of N-butyl-3-cyanobenzenesulfonamide is C11H14N2O2S.
What is the molecular weight of N-butyl-3-cyanobenzenesulfonamide?
The molecular weight of N-butyl-3-cyanobenzenesulfonamide is 238.0776 g/mol.
Where can I buy N-butyl-3-cyanobenzenesulfonamide?
You can request a quote for N-butyl-3-cyanobenzenesulfonamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-butyl-3-cyanobenzenesulfonamide?
Yes, CoreyChem provides custom synthesis services for N-butyl-3-cyanobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.