4-(2-Chloroethylsulfonyl)aniline
TL;DR: 4-(2-Chloroethylsulfonyl)aniline (CAS 20171-19-1) is a chemical compound with molecular formula C8H10ClNO2S and molecular weight 219.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-chloroethylsulfonyl)aniline
Also Known As: 4-(2-chloroethylsulfonyl)aniline, p-[(2-Chloroethyl)sulfonyl]aniline, 4-((2-chloroethyl)sulfonyl)aniline, 4-(2-CHLOROETHANESULFONYL)ANILINE, p-Aminophenyl beta-chloroethyl sulfone
| Molecular Formula | C8H10ClNO2S |
|---|---|
| Molecular Weight | 219.01 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.01208 |
| Heavy Atoms | 13 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 20171-19-1 |
|---|---|
| SMILES | C1=CC(=CC=C1N)S(=O)(=O)CCCl |
| InChIKey | DZOKLJWXKPFVNX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2-Chloroethylsulfonyl)aniline (CAS 20171-19-1), with molecular formula C8H10ClNO2S and molecular weight 219.01 g/mol. IUPAC: 4-(2-chloroethylsulfonyl)aniline.
Chemical Property Profile of 4-(2-Chloroethylsulfonyl)aniline
Property Insights of 4-(2-Chloroethylsulfonyl)aniline
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Chloroethylsulfonyl)aniline. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Chloroethylsulfonyl)aniline. Following Lipinski's Rule of Five, 4-(2-Chloroethylsulfonyl)aniline has 1 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 4-(2-Chloroethylsulfonyl)aniline?
The CAS number of 4-(2-Chloroethylsulfonyl)aniline is 20171-19-1.
What is the molecular formula of 4-(2-Chloroethylsulfonyl)aniline?
The molecular formula of 4-(2-Chloroethylsulfonyl)aniline is C8H10ClNO2S.
What is the molecular weight of 4-(2-Chloroethylsulfonyl)aniline?
The molecular weight of 4-(2-Chloroethylsulfonyl)aniline is 219.01 g/mol.
Where can I buy 4-(2-Chloroethylsulfonyl)aniline?
You can request a quote for 4-(2-Chloroethylsulfonyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Chloroethylsulfonyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Chloroethylsulfonyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.