2-Chloro-5-methanesulfonylaniline
TL;DR: 2-Chloro-5-methanesulfonylaniline (CAS 16328-56-6) is a chemical compound with molecular formula C7H8ClNO2S and molecular weight 204.99643 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-5-methylsulfonylaniline
Also Known As: 2-chloro-5-methanesulfonylaniline, 2-chloro-5-(methylsulfonyl)aniline, 2-chloro-5-methylsulfonylaniline, 2-chloro-5-methylsulfonyl-aniline, 2-chloro-5-methanesulfonyl-aniline
Technical Specifications
| Molecular Formula | C7H8ClNO2S |
| Molecular Weight | 204.99643 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.99643 Da |
| Heavy Atoms | 12 |
| Complexity | 247.0 |
| SMILES | CS(=O)(=O)C1=CC(=C(C=C1)Cl)N |
| InChIKey | JZYXWKXXTIMVOA-UHFFFAOYSA-N |
Chemical Property Profile of 2-Chloro-5-methanesulfonylaniline
Property Insights of 2-Chloro-5-methanesulfonylaniline
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-5-methanesulfonylaniline. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-5-methanesulfonylaniline. Following Lipinski's Rule of Five, 2-Chloro-5-methanesulfonylaniline 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
What is the CAS number of 2-Chloro-5-methanesulfonylaniline?
The CAS number of 2-Chloro-5-methanesulfonylaniline is 16328-56-6.
What is the molecular formula of 2-Chloro-5-methanesulfonylaniline?
The molecular formula of 2-Chloro-5-methanesulfonylaniline is C7H8ClNO2S.
What is the molecular weight of 2-Chloro-5-methanesulfonylaniline?
The molecular weight of 2-Chloro-5-methanesulfonylaniline is 204.99643 g/mol.
Where can I buy 2-Chloro-5-methanesulfonylaniline?
You can request a quote for 2-Chloro-5-methanesulfonylaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloro-5-methanesulfonylaniline?
Yes, CoreyChem provides custom synthesis services for 2-Chloro-5-methanesulfonylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.