![3-[(3,4-Dihydro-1(2H)-quinolinyl)sulfonyl]benzonitrile structure](/static/products/101/1016508-02-3.webp)
3-[(3,4-Dihydro-1(2H)-quinolinyl)sulfonyl]benzonitrile
TL;DR: 3-[(3,4-Dihydro-1(2H)-quinolinyl)sulfonyl]benzonitrile (CAS 1016508-02-3) is a chemical compound with molecular formula C16H14N2O2S and molecular weight 298.0776 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzonitrile
Also Known As: 3-[(3,4-Dihydro-1(2H)-quinolinyl)sulfonyl]benzonitrile, 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzonitrile, 3-(3,4-Dihydroquinoline-1(2H)-sulfonyl)benzonitrile
Technical Specifications
| Molecular Formula | C16H14N2O2S |
| Molecular Weight | 298.0776 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 69.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.0776 Da |
| Heavy Atoms | 21 |
| Complexity | 516.0 |
| SMILES | C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=CC(=C3)C#N |
| InChIKey | FUGLWTSWHACZMF-UHFFFAOYSA-N |
Chemical Property Profile of 3-[(3,4-Dihydro-1(2H)-quinolinyl)sulfonyl]benzonitrile
Property Insights of 3-[(3,4-Dihydro-1(2H)-quinolinyl)sulfonyl]benzonitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(3,4-Dihydro-1(2H)-quinolinyl)sulfonyl]benzonitrile. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(3,4-Dihydro-1(2H)-quinolinyl)sulfonyl]benzonitrile. Following Lipinski's Rule of Five, 3-[(3,4-Dihydro-1(2H)-quinolinyl)sulfonyl]benzonitrile 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
What is the CAS number of 3-[(3,4-Dihydro-1(2H)-quinolinyl)sulfonyl]benzonitrile?
The CAS number of 3-[(3,4-Dihydro-1(2H)-quinolinyl)sulfonyl]benzonitrile is 1016508-02-3.
What is the molecular formula of 3-[(3,4-Dihydro-1(2H)-quinolinyl)sulfonyl]benzonitrile?
The molecular formula of 3-[(3,4-Dihydro-1(2H)-quinolinyl)sulfonyl]benzonitrile is C16H14N2O2S.
What is the molecular weight of 3-[(3,4-Dihydro-1(2H)-quinolinyl)sulfonyl]benzonitrile?
The molecular weight of 3-[(3,4-Dihydro-1(2H)-quinolinyl)sulfonyl]benzonitrile is 298.0776 g/mol.
Where can I buy 3-[(3,4-Dihydro-1(2H)-quinolinyl)sulfonyl]benzonitrile?
You can request a quote for 3-[(3,4-Dihydro-1(2H)-quinolinyl)sulfonyl]benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[(3,4-Dihydro-1(2H)-quinolinyl)sulfonyl]benzonitrile?
Yes, CoreyChem provides custom synthesis services for 3-[(3,4-Dihydro-1(2H)-quinolinyl)sulfonyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.