2-(Benzenesulfonyl)-3-(4-chlorophenyl)prop-2-enenitrile
TL;DR: 2-(Benzenesulfonyl)-3-(4-chlorophenyl)prop-2-enenitrile (CAS 129200-98-2) is a chemical compound with molecular formula C15H10ClNO2S and molecular weight 303.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzenesulfonyl)-3-(4-chlorophenyl)prop-2-enenitrile
Also Known As: 3-(4-chlorophenyl)-2-(phenylsulfonyl)acrylonitrile, 2-(benzenesulfonyl)-3-(4-chlorophenyl)prop-2-enenitrile, 3-(4-chlorophenyl)-2-(phenylsulfonyl) acrylonitrile
| Molecular Formula | C15H10ClNO2S |
|---|---|
| Molecular Weight | 303.01 g/mol |
| LogP | 3.67838 |
| Topological Polar Surface Area | 57.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.0121 |
| Heavy Atoms | 20 |
| Complexity | 772.8733 |
Chemical Identifiers
| CAS Number | 129200-98-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=C(C=C2)Cl)C#N |
Product Overview
2-(Benzenesulfonyl)-3-(4-chlorophenyl)prop-2-enenitrile (CAS 129200-98-2), with molecular formula C15H10ClNO2S and molecular weight 303.01 g/mol. IUPAC: 2-(benzenesulfonyl)-3-(4-chlorophenyl)prop-2-enenitrile.
Chemical Property Profile of 2-(Benzenesulfonyl)-3-(4-chlorophenyl)prop-2-enenitrile
Property Insights of 2-(Benzenesulfonyl)-3-(4-chlorophenyl)prop-2-enenitrile
The XLogP value of 3.67838 indicates that 2-(Benzenesulfonyl)-3-(4-chlorophenyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.93 Ų, 2-(Benzenesulfonyl)-3-(4-chlorophenyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzenesulfonyl)-3-(4-chlorophenyl)prop-2-enenitrile 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 2-(Benzenesulfonyl)-3-(4-chlorophenyl)prop-2-enenitrile?
The CAS number of 2-(Benzenesulfonyl)-3-(4-chlorophenyl)prop-2-enenitrile is 129200-98-2.
What is the molecular formula of 2-(Benzenesulfonyl)-3-(4-chlorophenyl)prop-2-enenitrile?
The molecular formula of 2-(Benzenesulfonyl)-3-(4-chlorophenyl)prop-2-enenitrile is C15H10ClNO2S.
What is the molecular weight of 2-(Benzenesulfonyl)-3-(4-chlorophenyl)prop-2-enenitrile?
The molecular weight of 2-(Benzenesulfonyl)-3-(4-chlorophenyl)prop-2-enenitrile is 303.01 g/mol.
Where can I buy 2-(Benzenesulfonyl)-3-(4-chlorophenyl)prop-2-enenitrile?
You can request a quote for 2-(Benzenesulfonyl)-3-(4-chlorophenyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzenesulfonyl)-3-(4-chlorophenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzenesulfonyl)-3-(4-chlorophenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.