![4-[(4-Methyl-1-piperazinyl)sulfonyl]benzonitrile structure](/static/products/1017/1017020-14-2.webp)
4-[(4-Methyl-1-piperazinyl)sulfonyl]benzonitrile
TL;DR: 4-[(4-Methyl-1-piperazinyl)sulfonyl]benzonitrile (CAS 1017020-14-2) is a chemical compound with molecular formula C12H15N3O2S and molecular weight 265.0885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-methylpiperazin-1-yl)sulfonylbenzonitrile
Also Known As: 4-(4-methylpiperazin-1-yl)sulfonylbenzonitrile, 4-[(4-Methyl-1-piperazinyl)sulfonyl]benzonitrile, 4-[(4-methylpiperazin-1-yl)sulfonyl]benzonitrile
Technical Specifications
| Molecular Formula | C12H15N3O2S |
| Molecular Weight | 265.0885 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 72.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.0885 Da |
| Heavy Atoms | 18 |
| Complexity | 418.0 |
| SMILES | CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C#N |
| InChIKey | BMAOFHBAVNZQBR-UHFFFAOYSA-N |
Chemical Property Profile of 4-[(4-Methyl-1-piperazinyl)sulfonyl]benzonitrile
Property Insights of 4-[(4-Methyl-1-piperazinyl)sulfonyl]benzonitrile
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(4-Methyl-1-piperazinyl)sulfonyl]benzonitrile. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-Methyl-1-piperazinyl)sulfonyl]benzonitrile. Following Lipinski's Rule of Five, 4-[(4-Methyl-1-piperazinyl)sulfonyl]benzonitrile has 0 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 4-[(4-Methyl-1-piperazinyl)sulfonyl]benzonitrile?
The CAS number of 4-[(4-Methyl-1-piperazinyl)sulfonyl]benzonitrile is 1017020-14-2.
What is the molecular formula of 4-[(4-Methyl-1-piperazinyl)sulfonyl]benzonitrile?
The molecular formula of 4-[(4-Methyl-1-piperazinyl)sulfonyl]benzonitrile is C12H15N3O2S.
What is the molecular weight of 4-[(4-Methyl-1-piperazinyl)sulfonyl]benzonitrile?
The molecular weight of 4-[(4-Methyl-1-piperazinyl)sulfonyl]benzonitrile is 265.0885 g/mol.
Where can I buy 4-[(4-Methyl-1-piperazinyl)sulfonyl]benzonitrile?
You can request a quote for 4-[(4-Methyl-1-piperazinyl)sulfonyl]benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-[(4-Methyl-1-piperazinyl)sulfonyl]benzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-[(4-Methyl-1-piperazinyl)sulfonyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.