N-(cyanomethyl)benzenesulfonamide
TL;DR: N-(cyanomethyl)benzenesulfonamide (CAS 4470-96-6) is a chemical compound with molecular formula C8H8N2O2S and molecular weight 196.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(cyanomethyl)benzenesulfonamide
Also Known As: N-(cyanomethyl)benzenesulfonamide, N-Cyanomethyl phenylsulfonamide, N-Cyanomethyl-benzenesulfonamide, 2-[(phenylsulfonyl)amino]ethanenitrile, BAS 00624837
| Molecular Formula | C8H8N2O2S |
|---|---|
| Molecular Weight | 196.03 g/mol |
| LogP | 0.48848 |
| Topological Polar Surface Area | 69.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.03065 |
| Heavy Atoms | 13 |
| Complexity | 405.5202 |
Chemical Identifiers
| CAS Number | 4470-96-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)NCC#N |
Product Overview
N-(cyanomethyl)benzenesulfonamide (CAS 4470-96-6), with molecular formula C8H8N2O2S and molecular weight 196.03 g/mol. IUPAC: N-(cyanomethyl)benzenesulfonamide.
Chemical Property Profile of N-(cyanomethyl)benzenesulfonamide
Property Insights of N-(cyanomethyl)benzenesulfonamide
The XLogP value of 0.48848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(cyanomethyl)benzenesulfonamide. The TPSA of 69.96 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(cyanomethyl)benzenesulfonamide. Following Lipinski's Rule of Five, N-(cyanomethyl)benzenesulfonamide 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-(cyanomethyl)benzenesulfonamide?
The CAS number of N-(cyanomethyl)benzenesulfonamide is 4470-96-6.
What is the molecular formula of N-(cyanomethyl)benzenesulfonamide?
The molecular formula of N-(cyanomethyl)benzenesulfonamide is C8H8N2O2S.
What is the molecular weight of N-(cyanomethyl)benzenesulfonamide?
The molecular weight of N-(cyanomethyl)benzenesulfonamide is 196.03 g/mol.
Where can I buy N-(cyanomethyl)benzenesulfonamide?
You can request a quote for N-(cyanomethyl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(cyanomethyl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(cyanomethyl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.