3-(Pyrrolidin-1-ylsulfonyl)benzonitrile
TL;DR: 3-(Pyrrolidin-1-ylsulfonyl)benzonitrile (CAS 1003740-90-6) is a chemical compound with molecular formula C11H12N2O2S and molecular weight 236.06195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-pyrrolidin-1-ylsulfonylbenzonitrile
Also Known As: 3-(pyrrolidin-1-ylsulfonyl)benzonitrile, 3-pyrrolidin-1-ylsulfonylbenzonitrile, 3-(pyrrolidine-1-sulfonyl)benzonitrile, O-ETHYLISOUREAHYDROGENSULFATE, Benzonitrile, 3-(1-pyrrolidinylsulfonyl)-
Technical Specifications
| Molecular Formula | C11H12N2O2S |
| Molecular Weight | 236.06195 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 69.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.06195 Da |
| Heavy Atoms | 16 |
| Complexity | 384.0 |
| SMILES | C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C#N |
| InChIKey | BASQEQQOGLYRSJ-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Pyrrolidin-1-ylsulfonyl)benzonitrile
Property Insights of 3-(Pyrrolidin-1-ylsulfonyl)benzonitrile
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Pyrrolidin-1-ylsulfonyl)benzonitrile. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Pyrrolidin-1-ylsulfonyl)benzonitrile. Following Lipinski's Rule of Five, 3-(Pyrrolidin-1-ylsulfonyl)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-(Pyrrolidin-1-ylsulfonyl)benzonitrile?
The CAS number of 3-(Pyrrolidin-1-ylsulfonyl)benzonitrile is 1003740-90-6.
What is the molecular formula of 3-(Pyrrolidin-1-ylsulfonyl)benzonitrile?
The molecular formula of 3-(Pyrrolidin-1-ylsulfonyl)benzonitrile is C11H12N2O2S.
What is the molecular weight of 3-(Pyrrolidin-1-ylsulfonyl)benzonitrile?
The molecular weight of 3-(Pyrrolidin-1-ylsulfonyl)benzonitrile is 236.06195 g/mol.
Where can I buy 3-(Pyrrolidin-1-ylsulfonyl)benzonitrile?
You can request a quote for 3-(Pyrrolidin-1-ylsulfonyl)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Pyrrolidin-1-ylsulfonyl)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 3-(Pyrrolidin-1-ylsulfonyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.