2-Chloro-3-((p-chlorophenyl)sulfonyl)propionitrile
TL;DR: 2-Chloro-3-((p-chlorophenyl)sulfonyl)propionitrile (CAS 109553-01-7) is a chemical compound with molecular formula C9H7Cl2NO2S and molecular weight 262.95746 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-3-(4-chlorophenyl)sulfonylpropanenitrile
Also Known As: 2-Chloro-3-((p-chlorophenyl)sulfonyl)propionitrile, 2-chloro-3-(4-chlorophenyl)sulfonylpropanenitrile, 3,4-Dihydro-5,8-dimethoxynaphthalen-1(2H)-one, Propionitrile, 2-chloro-3-((p-chlorophenyl)sulfonyl)-, 2-Chloro-3-(4-chlorobenzene-1-sulfonyl)propanenitrile
Technical Specifications
| Molecular Formula | C9H7Cl2NO2S |
| Molecular Weight | 262.95746 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 66.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.95746 Da |
| Heavy Atoms | 15 |
| Complexity | 346.0 |
| SMILES | C1=CC(=CC=C1S(=O)(=O)CC(C#N)Cl)Cl |
| InChIKey | AYFIWYZUNSSWKP-UHFFFAOYSA-N |
Chemical Property Profile of 2-Chloro-3-((p-chlorophenyl)sulfonyl)propionitrile
Property Insights of 2-Chloro-3-((p-chlorophenyl)sulfonyl)propionitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-3-((p-chlorophenyl)sulfonyl)propionitrile. The TPSA of 66.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-3-((p-chlorophenyl)sulfonyl)propionitrile. Following Lipinski's Rule of Five, 2-Chloro-3-((p-chlorophenyl)sulfonyl)propionitrile 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
What is the CAS number of 2-Chloro-3-((p-chlorophenyl)sulfonyl)propionitrile?
The CAS number of 2-Chloro-3-((p-chlorophenyl)sulfonyl)propionitrile is 109553-01-7.
What is the molecular formula of 2-Chloro-3-((p-chlorophenyl)sulfonyl)propionitrile?
The molecular formula of 2-Chloro-3-((p-chlorophenyl)sulfonyl)propionitrile is C9H7Cl2NO2S.
What is the molecular weight of 2-Chloro-3-((p-chlorophenyl)sulfonyl)propionitrile?
The molecular weight of 2-Chloro-3-((p-chlorophenyl)sulfonyl)propionitrile is 262.95746 g/mol.
Where can I buy 2-Chloro-3-((p-chlorophenyl)sulfonyl)propionitrile?
You can request a quote for 2-Chloro-3-((p-chlorophenyl)sulfonyl)propionitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloro-3-((p-chlorophenyl)sulfonyl)propionitrile?
Yes, CoreyChem provides custom synthesis services for 2-Chloro-3-((p-chlorophenyl)sulfonyl)propionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.