N-(2-cyanoethyl)-2,4,6-trimethylbenzenesulfonamide
TL;DR: N-(2-cyanoethyl)-2,4,6-trimethylbenzenesulfonamide (CAS 25111-64-2) is a chemical compound with molecular formula C12H16N2O2S and molecular weight 252.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-cyanoethyl)-2,4,6-trimethylbenzenesulfonamide
Also Known As: N-(2-cyanoethyl)-2,4,6-trimethylbenzenesulfonamide, 3-(2,4,6-Trimethyl-benzolsulfonylamino)-propionsaeure-nitril
| Molecular Formula | C12H16N2O2S |
|---|---|
| Molecular Weight | 252.09 g/mol |
| LogP | 1.80384 |
| Topological Polar Surface Area | 69.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.09325 |
| Heavy Atoms | 17 |
| Complexity | 533.35376 |
Chemical Identifiers
| CAS Number | 25111-64-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)S(=O)(=O)NCCC#N)C |
Product Overview
N-(2-cyanoethyl)-2,4,6-trimethylbenzenesulfonamide (CAS 25111-64-2), with molecular formula C12H16N2O2S and molecular weight 252.09 g/mol. IUPAC: N-(2-cyanoethyl)-2,4,6-trimethylbenzenesulfonamide.
Chemical Property Profile of N-(2-cyanoethyl)-2,4,6-trimethylbenzenesulfonamide
Property Insights of N-(2-cyanoethyl)-2,4,6-trimethylbenzenesulfonamide
The XLogP value of 1.80384 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-cyanoethyl)-2,4,6-trimethylbenzenesulfonamide. The TPSA of 69.96 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-cyanoethyl)-2,4,6-trimethylbenzenesulfonamide. Following Lipinski's Rule of Five, N-(2-cyanoethyl)-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
Frequently Asked Questions
What is the CAS number of N-(2-cyanoethyl)-2,4,6-trimethylbenzenesulfonamide?
The CAS number of N-(2-cyanoethyl)-2,4,6-trimethylbenzenesulfonamide is 25111-64-2.
What is the molecular formula of N-(2-cyanoethyl)-2,4,6-trimethylbenzenesulfonamide?
The molecular formula of N-(2-cyanoethyl)-2,4,6-trimethylbenzenesulfonamide is C12H16N2O2S.
What is the molecular weight of N-(2-cyanoethyl)-2,4,6-trimethylbenzenesulfonamide?
The molecular weight of N-(2-cyanoethyl)-2,4,6-trimethylbenzenesulfonamide is 252.09 g/mol.
Where can I buy N-(2-cyanoethyl)-2,4,6-trimethylbenzenesulfonamide?
You can request a quote for N-(2-cyanoethyl)-2,4,6-trimethylbenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-cyanoethyl)-2,4,6-trimethylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-cyanoethyl)-2,4,6-trimethylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.