N,N-bis(cyanomethyl)-4-fluorobenzenesulfonamide
TL;DR: N,N-bis(cyanomethyl)-4-fluorobenzenesulfonamide (CAS 349397-52-0) is a chemical compound with molecular formula C10H8FN3O2S and molecular weight 253.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(cyanomethyl)-4-fluorobenzenesulfonamide
Also Known As: N,N-bis(cyanomethyl)-4-fluorobenzenesulfonamide, BAS 00625265, N,N-Bis-cyanomethyl-4-fluoro-benzenesulfonamide, N,N-BIS(CYANOMETHYL)-4-FLUOROBENZENE-1-SULFONAMIDE, 2-{(cyanomethyl)[(4-fluorophenyl)sulfonyl]amino}ethanenitrile
| Molecular Formula | C10H8FN3O2S |
|---|---|
| Molecular Weight | 253.03 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 93.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.03212 |
| Heavy Atoms | 17 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 349397-52-0 |
|---|---|
| SMILES | C1=CC(=CC=C1F)S(=O)(=O)N(CC#N)CC#N |
| InChIKey | JULKYSQDSUPXEA-UHFFFAOYSA-N |
Product Overview
N,N-bis(cyanomethyl)-4-fluorobenzenesulfonamide (CAS 349397-52-0), with molecular formula C10H8FN3O2S and molecular weight 253.03 g/mol. IUPAC: N,N-bis(cyanomethyl)-4-fluorobenzenesulfonamide.
Chemical Property Profile of N,N-bis(cyanomethyl)-4-fluorobenzenesulfonamide
Property Insights of N,N-bis(cyanomethyl)-4-fluorobenzenesulfonamide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-bis(cyanomethyl)-4-fluorobenzenesulfonamide. The TPSA of 93.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-bis(cyanomethyl)-4-fluorobenzenesulfonamide. Following Lipinski's Rule of Five, N,N-bis(cyanomethyl)-4-fluorobenzenesulfonamide has 0 hydrogen bond donor(s) and 6 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(cyanomethyl)-4-fluorobenzenesulfonamide?
The CAS number of N,N-bis(cyanomethyl)-4-fluorobenzenesulfonamide is 349397-52-0.
What is the molecular formula of N,N-bis(cyanomethyl)-4-fluorobenzenesulfonamide?
The molecular formula of N,N-bis(cyanomethyl)-4-fluorobenzenesulfonamide is C10H8FN3O2S.
What is the molecular weight of N,N-bis(cyanomethyl)-4-fluorobenzenesulfonamide?
The molecular weight of N,N-bis(cyanomethyl)-4-fluorobenzenesulfonamide is 253.03 g/mol.
Where can I buy N,N-bis(cyanomethyl)-4-fluorobenzenesulfonamide?
You can request a quote for N,N-bis(cyanomethyl)-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(cyanomethyl)-4-fluorobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-bis(cyanomethyl)-4-fluorobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.