3-(Piperidin-1-ylsulfonyl)benzonitrile
TL;DR: 3-(Piperidin-1-ylsulfonyl)benzonitrile (CAS 1016789-41-5) is a chemical compound with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-piperidin-1-ylsulfonylbenzonitrile
Also Known As: 3-(Piperidin-1-ylsulfonyl)benzonitrile, 3-piperidin-1-ylsulfonylbenzonitrile, 3-(Piperidine-1-sulfonyl)benzonitrile, 3-(piperidine-1-sulfonyl)-benzonitrile, A1-78809
| Molecular Formula | C12H14N2O2S |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 1.73288 |
| Topological Polar Surface Area | 61.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.0776 |
| Heavy Atoms | 17 |
| Complexity | 539.8692 |
Chemical Identifiers
| CAS Number | 1016789-41-5 |
|---|---|
| SMILES | C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C#N |
Product Overview
3-(Piperidin-1-ylsulfonyl)benzonitrile (CAS 1016789-41-5), with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol. IUPAC: 3-piperidin-1-ylsulfonylbenzonitrile.
Chemical Property Profile of 3-(Piperidin-1-ylsulfonyl)benzonitrile
Property Insights of 3-(Piperidin-1-ylsulfonyl)benzonitrile
The XLogP value of 1.73288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Piperidin-1-ylsulfonyl)benzonitrile. The TPSA of 61.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Piperidin-1-ylsulfonyl)benzonitrile. Following Lipinski's Rule of Five, 3-(Piperidin-1-ylsulfonyl)benzonitrile has 0 hydrogen bond donor(s) and 3 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 3-(Piperidin-1-ylsulfonyl)benzonitrile?
The CAS number of 3-(Piperidin-1-ylsulfonyl)benzonitrile is 1016789-41-5.
What is the molecular formula of 3-(Piperidin-1-ylsulfonyl)benzonitrile?
The molecular formula of 3-(Piperidin-1-ylsulfonyl)benzonitrile is C12H14N2O2S.
What is the molecular weight of 3-(Piperidin-1-ylsulfonyl)benzonitrile?
The molecular weight of 3-(Piperidin-1-ylsulfonyl)benzonitrile is 250.08 g/mol.
Where can I buy 3-(Piperidin-1-ylsulfonyl)benzonitrile?
You can request a quote for 3-(Piperidin-1-ylsulfonyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Piperidin-1-ylsulfonyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Piperidin-1-ylsulfonyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.