4-(Pyrrolidine-1-sulfonyl)benzonitrile
TL;DR: 4-(Pyrrolidine-1-sulfonyl)benzonitrile (CAS 1017048-56-4) 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.
4-pyrrolidin-1-ylsulfonylbenzonitrile
Also Known As: 4-(pyrrolidine-1-sulfonyl)benzonitrile, 4-pyrrolidin-1-ylsulfonylbenzonitrile, 4-(Pyrrolidin-1-ylsulfonyl)benzonitrile, A1-25795, G54282
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 | 376.0 |
| SMILES | C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C#N |
| InChIKey | OQTRYSSJSADCFK-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Pyrrolidine-1-sulfonyl)benzonitrile
Property Insights of 4-(Pyrrolidine-1-sulfonyl)benzonitrile
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Pyrrolidine-1-sulfonyl)benzonitrile. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Pyrrolidine-1-sulfonyl)benzonitrile. Following Lipinski's Rule of Five, 4-(Pyrrolidine-1-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 4-(Pyrrolidine-1-sulfonyl)benzonitrile?
The CAS number of 4-(Pyrrolidine-1-sulfonyl)benzonitrile is 1017048-56-4.
What is the molecular formula of 4-(Pyrrolidine-1-sulfonyl)benzonitrile?
The molecular formula of 4-(Pyrrolidine-1-sulfonyl)benzonitrile is C11H12N2O2S.
What is the molecular weight of 4-(Pyrrolidine-1-sulfonyl)benzonitrile?
The molecular weight of 4-(Pyrrolidine-1-sulfonyl)benzonitrile is 236.06195 g/mol.
Where can I buy 4-(Pyrrolidine-1-sulfonyl)benzonitrile?
You can request a quote for 4-(Pyrrolidine-1-sulfonyl)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Pyrrolidine-1-sulfonyl)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-(Pyrrolidine-1-sulfonyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.