N-(2-cyanoethyl)-4-propan-2-ylbenzenesulfonamide
TL;DR: N-(2-cyanoethyl)-4-propan-2-ylbenzenesulfonamide (CAS 25111-65-3) 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)-4-propan-2-ylbenzenesulfonamide
Also Known As: 3-(4-Isopropyl-benzolsulfonylamino)-propionsaeurenitril, N-(2-cyanoethyl)-4-propan-2-ylbenzenesulfonamide, N-(2-cyanoethyl)-4-propan-2-yl-benzenesulfonamide
| Molecular Formula | C12H16N2O2S |
|---|---|
| Molecular Weight | 252.09 g/mol |
| LogP | 2.00198 |
| Topological Polar Surface Area | 69.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.09325 |
| Heavy Atoms | 17 |
| Complexity | 498.3023 |
Chemical Identifiers
| CAS Number | 25111-65-3 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)S(=O)(=O)NCCC#N |
Product Overview
N-(2-cyanoethyl)-4-propan-2-ylbenzenesulfonamide (CAS 25111-65-3), with molecular formula C12H16N2O2S and molecular weight 252.09 g/mol. IUPAC: N-(2-cyanoethyl)-4-propan-2-ylbenzenesulfonamide.
Chemical Property Profile of N-(2-cyanoethyl)-4-propan-2-ylbenzenesulfonamide
Property Insights of N-(2-cyanoethyl)-4-propan-2-ylbenzenesulfonamide
The XLogP value of 2.00198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-cyanoethyl)-4-propan-2-ylbenzenesulfonamide. The TPSA of 69.96 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-cyanoethyl)-4-propan-2-ylbenzenesulfonamide. Following Lipinski's Rule of Five, N-(2-cyanoethyl)-4-propan-2-ylbenzenesulfonamide 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)-4-propan-2-ylbenzenesulfonamide?
The CAS number of N-(2-cyanoethyl)-4-propan-2-ylbenzenesulfonamide is 25111-65-3.
What is the molecular formula of N-(2-cyanoethyl)-4-propan-2-ylbenzenesulfonamide?
The molecular formula of N-(2-cyanoethyl)-4-propan-2-ylbenzenesulfonamide is C12H16N2O2S.
What is the molecular weight of N-(2-cyanoethyl)-4-propan-2-ylbenzenesulfonamide?
The molecular weight of N-(2-cyanoethyl)-4-propan-2-ylbenzenesulfonamide is 252.09 g/mol.
Where can I buy N-(2-cyanoethyl)-4-propan-2-ylbenzenesulfonamide?
You can request a quote for N-(2-cyanoethyl)-4-propan-2-ylbenzenesulfonamide 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)-4-propan-2-ylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-cyanoethyl)-4-propan-2-ylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.