N,N-bis(2-cyanoethyl)-4-fluorobenzenesulfonamide
TL;DR: N,N-bis(2-cyanoethyl)-4-fluorobenzenesulfonamide (CAS 706765-88-0) is a chemical compound with molecular formula C12H12FN3O2S and molecular weight 281.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-cyanoethyl)-4-fluorobenzenesulfonamide
Also Known As: N,N-bis(2-cyanoethyl)-4-fluorobenzenesulfonamide, N,N-BIS(2-CYANOETHYL)-4-FLUOROBENZENE-1-SULFONAMIDE, 3-{(2-cyanoethyl)[(4-fluorophenyl)sulfonyl]amino}propanenitrile
| Molecular Formula | C12H12FN3O2S |
|---|---|
| Molecular Weight | 281.06 g/mol |
| LogP | 1.64376 |
| Topological Polar Surface Area | 84.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 281.06342 |
| Heavy Atoms | 19 |
| Complexity | 581.34705 |
Chemical Identifiers
| CAS Number | 706765-88-0 |
|---|---|
| SMILES | C1=CC(=CC=C1F)S(=O)(=O)N(CCC#N)CCC#N |
Product Overview
N,N-bis(2-cyanoethyl)-4-fluorobenzenesulfonamide (CAS 706765-88-0), with molecular formula C12H12FN3O2S and molecular weight 281.06 g/mol. IUPAC: N,N-bis(2-cyanoethyl)-4-fluorobenzenesulfonamide.
Chemical Property Profile of N,N-bis(2-cyanoethyl)-4-fluorobenzenesulfonamide
Property Insights of N,N-bis(2-cyanoethyl)-4-fluorobenzenesulfonamide
The XLogP value of 1.64376 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-bis(2-cyanoethyl)-4-fluorobenzenesulfonamide. The TPSA of 84.96 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-bis(2-cyanoethyl)-4-fluorobenzenesulfonamide. Following Lipinski's Rule of Five, N,N-bis(2-cyanoethyl)-4-fluorobenzenesulfonamide has 0 hydrogen bond donor(s) and 4 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,N-bis(2-cyanoethyl)-4-fluorobenzenesulfonamide?
The CAS number of N,N-bis(2-cyanoethyl)-4-fluorobenzenesulfonamide is 706765-88-0.
What is the molecular formula of N,N-bis(2-cyanoethyl)-4-fluorobenzenesulfonamide?
The molecular formula of N,N-bis(2-cyanoethyl)-4-fluorobenzenesulfonamide is C12H12FN3O2S.
What is the molecular weight of N,N-bis(2-cyanoethyl)-4-fluorobenzenesulfonamide?
The molecular weight of N,N-bis(2-cyanoethyl)-4-fluorobenzenesulfonamide is 281.06 g/mol.
Where can I buy N,N-bis(2-cyanoethyl)-4-fluorobenzenesulfonamide?
You can request a quote for N,N-bis(2-cyanoethyl)-4-fluorobenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-bis(2-cyanoethyl)-4-fluorobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-bis(2-cyanoethyl)-4-fluorobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.