![3-[(4-Chlorophenyl)sulfonyl]propanenitrile structure](/static/products/1422/14223-22-4.webp)
3-[(4-Chlorophenyl)sulfonyl]propanenitrile
TL;DR: 3-[(4-Chlorophenyl)sulfonyl]propanenitrile (CAS 14223-22-4) is a chemical compound with molecular formula C9H8ClNO2S and molecular weight 229.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)sulfonylpropanenitrile
Also Known As: 3-[(4-chlorophenyl)sulfonyl]propanenitrile, 3-(4-chlorobenzenesulfonyl)propanenitrile, 3-((4-chlorophenyl)sulfonyl)propanenitrile, ChemDiv2_000273, 3-(4-chlorophenyl)sulfonylpropanenitrile
| Molecular Formula | C9H8ClNO2S |
|---|---|
| Molecular Weight | 229.00 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 66.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.99643 |
| Heavy Atoms | 14 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 14223-22-4 |
|---|---|
| SMILES | C1=CC(=CC=C1S(=O)(=O)CCC#N)Cl |
| InChIKey | KNJUCPMNNQIKGG-UHFFFAOYSA-N |
Product Overview
3-[(4-Chlorophenyl)sulfonyl]propanenitrile (CAS 14223-22-4), with molecular formula C9H8ClNO2S and molecular weight 229.00 g/mol. IUPAC: 3-(4-chlorophenyl)sulfonylpropanenitrile.
Chemical Property Profile of 3-[(4-Chlorophenyl)sulfonyl]propanenitrile
Property Insights of 3-[(4-Chlorophenyl)sulfonyl]propanenitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-Chlorophenyl)sulfonyl]propanenitrile. The TPSA of 66.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Chlorophenyl)sulfonyl]propanenitrile. Following Lipinski's Rule of Five, 3-[(4-Chlorophenyl)sulfonyl]propanenitrile 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-[(4-Chlorophenyl)sulfonyl]propanenitrile?
The CAS number of 3-[(4-Chlorophenyl)sulfonyl]propanenitrile is 14223-22-4.
What is the molecular formula of 3-[(4-Chlorophenyl)sulfonyl]propanenitrile?
The molecular formula of 3-[(4-Chlorophenyl)sulfonyl]propanenitrile is C9H8ClNO2S.
What is the molecular weight of 3-[(4-Chlorophenyl)sulfonyl]propanenitrile?
The molecular weight of 3-[(4-Chlorophenyl)sulfonyl]propanenitrile is 229.00 g/mol.
Where can I buy 3-[(4-Chlorophenyl)sulfonyl]propanenitrile?
You can request a quote for 3-[(4-Chlorophenyl)sulfonyl]propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-Chlorophenyl)sulfonyl]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Chlorophenyl)sulfonyl]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.