2-cyano-N,N-dimethylbenzenesulfonamide
TL;DR: 2-cyano-N,N-dimethylbenzenesulfonamide (CAS 168971-53-7) is a chemical compound with molecular formula C9H10N2O2S and molecular weight 210.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-N,N-dimethylbenzenesulfonamide
Also Known As: 2-cyano-N,N-dimethylbenzenesulfonamide, Benzenesulfonamide, 2-cyano-N,N-dimethyl-, 2-cyano-N,N-dimethylbenzene-1-sulfonamide, 2-Cyano-N,N-dimethyl-benzenesulfonamide, SDCCGMLS-0046724.P002
| Molecular Formula | C9H10N2O2S |
|---|---|
| Molecular Weight | 210.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.0463 |
| Heavy Atoms | 14 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 168971-53-7 |
|---|---|
| SMILES | CN(C)S(=O)(=O)C1=CC=CC=C1C#N |
| InChIKey | HDKMCORZIWAQDA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-cyano-N,N-dimethylbenzenesulfonamide (CAS 168971-53-7), with molecular formula C9H10N2O2S and molecular weight 210.05 g/mol. IUPAC: 2-cyano-N,N-dimethylbenzenesulfonamide.
Chemical Property Profile of 2-cyano-N,N-dimethylbenzenesulfonamide
Property Insights of 2-cyano-N,N-dimethylbenzenesulfonamide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-cyano-N,N-dimethylbenzenesulfonamide. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-cyano-N,N-dimethylbenzenesulfonamide. Following Lipinski's Rule of Five, 2-cyano-N,N-dimethylbenzenesulfonamide 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 2-cyano-N,N-dimethylbenzenesulfonamide?
The CAS number of 2-cyano-N,N-dimethylbenzenesulfonamide is 168971-53-7.
What is the molecular formula of 2-cyano-N,N-dimethylbenzenesulfonamide?
The molecular formula of 2-cyano-N,N-dimethylbenzenesulfonamide is C9H10N2O2S.
What is the molecular weight of 2-cyano-N,N-dimethylbenzenesulfonamide?
The molecular weight of 2-cyano-N,N-dimethylbenzenesulfonamide is 210.05 g/mol.
Where can I buy 2-cyano-N,N-dimethylbenzenesulfonamide?
You can request a quote for 2-cyano-N,N-dimethylbenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-cyano-N,N-dimethylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 2-cyano-N,N-dimethylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.