![3-cyano-N-[2-(dimethylamino)ethyl]benzenesulfonamide structure](/static/products/1004/1004420-86-3.webp)
3-cyano-N-[2-(dimethylamino)ethyl]benzenesulfonamide
TL;DR: 3-cyano-N-[2-(dimethylamino)ethyl]benzenesulfonamide (CAS 1004420-86-3) is a chemical compound with molecular formula C11H15N3O2S and molecular weight 253.0885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-cyano-N-[2-(dimethylamino)ethyl]benzenesulfonamide
Also Known As: 3-cyano-N-(2-dimethylaminoethyl)benzenesulfonamide, 3-cyano-N-[2-(dimethylamino)ethyl]benzenesulfonamide
Technical Specifications
| Molecular Formula | C11H15N3O2S |
| Molecular Weight | 253.0885 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 81.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 253.0885 Da |
| Heavy Atoms | 17 |
| Complexity | 377.0 |
| SMILES | CN(C)CCNS(=O)(=O)C1=CC=CC(=C1)C#N |
| InChIKey | CJFMXBPGOSXWDT-UHFFFAOYSA-N |
Chemical Property Profile of 3-cyano-N-[2-(dimethylamino)ethyl]benzenesulfonamide
Property Insights of 3-cyano-N-[2-(dimethylamino)ethyl]benzenesulfonamide
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-cyano-N-[2-(dimethylamino)ethyl]benzenesulfonamide. The TPSA of 81.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-cyano-N-[2-(dimethylamino)ethyl]benzenesulfonamide. Following Lipinski's Rule of Five, 3-cyano-N-[2-(dimethylamino)ethyl]benzenesulfonamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-cyano-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
The CAS number of 3-cyano-N-[2-(dimethylamino)ethyl]benzenesulfonamide is 1004420-86-3.
What is the molecular formula of 3-cyano-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
The molecular formula of 3-cyano-N-[2-(dimethylamino)ethyl]benzenesulfonamide is C11H15N3O2S.
What is the molecular weight of 3-cyano-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
The molecular weight of 3-cyano-N-[2-(dimethylamino)ethyl]benzenesulfonamide is 253.0885 g/mol.
Where can I buy 3-cyano-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
You can request a quote for 3-cyano-N-[2-(dimethylamino)ethyl]benzenesulfonamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-cyano-N-[2-(dimethylamino)ethyl]benzenesulfonamide?
Yes, CoreyChem provides custom synthesis services for 3-cyano-N-[2-(dimethylamino)ethyl]benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.