n-Cyanobenzenesulfonamide
TL;DR: n-Cyanobenzenesulfonamide (CAS 4392-45-4) is a chemical compound with molecular formula C7H6N2O2S and molecular weight 182.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyanobenzenesulfonamide
Also Known As: n-cyanobenzenesulfonamide, N-phenylsulfonylcyanamide, Benzenesulfonamide,n-cyano-
| Molecular Formula | C7H6N2O2S |
|---|---|
| Molecular Weight | 182.01 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 78.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.015 |
| Heavy Atoms | 12 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 4392-45-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)NC#N |
| InChIKey | XWKAGDYOTYFYPW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
n-Cyanobenzenesulfonamide (CAS 4392-45-4), with molecular formula C7H6N2O2S and molecular weight 182.01 g/mol. IUPAC: N-cyanobenzenesulfonamide.
Chemical Property Profile of n-Cyanobenzenesulfonamide
Property Insights of n-Cyanobenzenesulfonamide
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-Cyanobenzenesulfonamide. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for n-Cyanobenzenesulfonamide. Following Lipinski's Rule of Five, n-Cyanobenzenesulfonamide 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-Cyanobenzenesulfonamide?
The CAS number of n-Cyanobenzenesulfonamide is 4392-45-4.
What is the molecular formula of n-Cyanobenzenesulfonamide?
The molecular formula of n-Cyanobenzenesulfonamide is C7H6N2O2S.
What is the molecular weight of n-Cyanobenzenesulfonamide?
The molecular weight of n-Cyanobenzenesulfonamide is 182.01 g/mol.
Where can I buy n-Cyanobenzenesulfonamide?
You can request a quote for n-Cyanobenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Cyanobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for n-Cyanobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.