![2-[[4-(3,4-Dichlorobenzoyl)-1-piperazinyl]sulfonyl]benzonitrile structure](/static/products/850/850348-83-3.png)
2-[[4-(3,4-Dichlorobenzoyl)-1-piperazinyl]sulfonyl]benzonitrile
TL;DR: 2-[[4-(3,4-Dichlorobenzoyl)-1-piperazinyl]sulfonyl]benzonitrile (CAS 850348-83-3) is a chemical compound with molecular formula C18H15Cl2N3O3S and molecular weight 423.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]sulfonylbenzonitrile
Also Known As: 2-[[4-(3,4-Dichlorobenzoyl)-1-piperazinyl]sulfonyl]benzonitrile, 2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]sulfonylbenzonitrile, 2-[4-(3,4-Dichlorobenzoyl)piperazine-1-sulfonyl]benzonitrile
| Molecular Formula | C18H15Cl2N3O3S |
|---|---|
| Molecular Weight | 423.02 g/mol |
| LogP | 3.01178 |
| Topological Polar Surface Area | 81.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 423.02112 |
| Heavy Atoms | 27 |
| Complexity | 1026.3877 |
Chemical Identifiers
| CAS Number | 850348-83-3 |
|---|---|
| SMILES | C1CN(CCN1C(=O)C2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)C3=CC=CC=C3C#N |
Product Overview
2-[[4-(3,4-Dichlorobenzoyl)-1-piperazinyl]sulfonyl]benzonitrile (CAS 850348-83-3), with molecular formula C18H15Cl2N3O3S and molecular weight 423.02 g/mol. IUPAC: 2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]sulfonylbenzonitrile.
Chemical Property Profile of 2-[[4-(3,4-Dichlorobenzoyl)-1-piperazinyl]sulfonyl]benzonitrile
Property Insights of 2-[[4-(3,4-Dichlorobenzoyl)-1-piperazinyl]sulfonyl]benzonitrile
The XLogP value of 3.01178 indicates that 2-[[4-(3,4-Dichlorobenzoyl)-1-piperazinyl]sulfonyl]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[4-(3,4-Dichlorobenzoyl)-1-piperazinyl]sulfonyl]benzonitrile. Following Lipinski's Rule of Five, 2-[[4-(3,4-Dichlorobenzoyl)-1-piperazinyl]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
Frequently Asked Questions
What is the CAS number of 2-[[4-(3,4-Dichlorobenzoyl)-1-piperazinyl]sulfonyl]benzonitrile?
The CAS number of 2-[[4-(3,4-Dichlorobenzoyl)-1-piperazinyl]sulfonyl]benzonitrile is 850348-83-3.
What is the molecular formula of 2-[[4-(3,4-Dichlorobenzoyl)-1-piperazinyl]sulfonyl]benzonitrile?
The molecular formula of 2-[[4-(3,4-Dichlorobenzoyl)-1-piperazinyl]sulfonyl]benzonitrile is C18H15Cl2N3O3S.
What is the molecular weight of 2-[[4-(3,4-Dichlorobenzoyl)-1-piperazinyl]sulfonyl]benzonitrile?
The molecular weight of 2-[[4-(3,4-Dichlorobenzoyl)-1-piperazinyl]sulfonyl]benzonitrile is 423.02 g/mol.
Where can I buy 2-[[4-(3,4-Dichlorobenzoyl)-1-piperazinyl]sulfonyl]benzonitrile?
You can request a quote for 2-[[4-(3,4-Dichlorobenzoyl)-1-piperazinyl]sulfonyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[4-(3,4-Dichlorobenzoyl)-1-piperazinyl]sulfonyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4-(3,4-Dichlorobenzoyl)-1-piperazinyl]sulfonyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.