N-(2-Cyanophenyl)methanesulfonamide
TL;DR: N-(2-Cyanophenyl)methanesulfonamide (CAS 80221-26-7) 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-(2-cyanophenyl)methanesulfonamide
Also Known As: n-(2-cyanophenyl)methanesulfonamide, 2-(METHANESULFONYLAMINO)BENZONITRILE, pyrazol-1-carboxamidine, 2- BENZONITRILE, 2-(Mesylamino)benzonitrile
| Molecular Formula | C8H8N2O2S |
|---|---|
| Molecular Weight | 196.03 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 78.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.03065 |
| Heavy Atoms | 13 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 80221-26-7 |
|---|---|
| SMILES | CS(=O)(=O)NC1=CC=CC=C1C#N |
| InChIKey | RKJYYYHFUOVDAD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-Cyanophenyl)methanesulfonamide (CAS 80221-26-7), with molecular formula C8H8N2O2S and molecular weight 196.03 g/mol. IUPAC: N-(2-cyanophenyl)methanesulfonamide.
Chemical Property Profile of N-(2-Cyanophenyl)methanesulfonamide
Property Insights of N-(2-Cyanophenyl)methanesulfonamide
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Cyanophenyl)methanesulfonamide. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Cyanophenyl)methanesulfonamide. Following Lipinski's Rule of Five, N-(2-Cyanophenyl)methanesulfonamide has 1 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-(2-Cyanophenyl)methanesulfonamide?
The CAS number of N-(2-Cyanophenyl)methanesulfonamide is 80221-26-7.
What is the molecular formula of N-(2-Cyanophenyl)methanesulfonamide?
The molecular formula of N-(2-Cyanophenyl)methanesulfonamide is C8H8N2O2S.
What is the molecular weight of N-(2-Cyanophenyl)methanesulfonamide?
The molecular weight of N-(2-Cyanophenyl)methanesulfonamide is 196.03 g/mol.
Where can I buy N-(2-Cyanophenyl)methanesulfonamide?
You can request a quote for N-(2-Cyanophenyl)methanesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Cyanophenyl)methanesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Cyanophenyl)methanesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.