2-Chloro-5-(phenylsulphonyl)aniline
TL;DR: 2-Chloro-5-(phenylsulphonyl)aniline (CAS 85508-35-6) is a chemical compound with molecular formula C12H10ClNO2S and molecular weight 267.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzenesulfonyl)-2-chloroaniline
Also Known As: 2-Chloro-5-(phenylsulphonyl)aniline, 5-(benzenesulfonyl)-2-chloroaniline, EINECS 287-460-8, 6-chloro-3-phenylsulfonylaniline, Benzenamine,2-chloro-5-(phenylsulfonyl)-
| Molecular Formula | C12H10ClNO2S |
|---|---|
| Molecular Weight | 267.01 g/mol |
| LogP | 2.755 |
| Topological Polar Surface Area | 60.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.0121 |
| Heavy Atoms | 17 |
| Complexity | 638.8101 |
Chemical Identifiers
| CAS Number | 85508-35-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)N |
Product Overview
2-Chloro-5-(phenylsulphonyl)aniline (CAS 85508-35-6), with molecular formula C12H10ClNO2S and molecular weight 267.01 g/mol. IUPAC: 5-(benzenesulfonyl)-2-chloroaniline.
Chemical Property Profile of 2-Chloro-5-(phenylsulphonyl)aniline
Property Insights of 2-Chloro-5-(phenylsulphonyl)aniline
The XLogP value of 2.755 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-5-(phenylsulphonyl)aniline. The TPSA of 60.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-5-(phenylsulphonyl)aniline. Following Lipinski's Rule of Five, 2-Chloro-5-(phenylsulphonyl)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 2-Chloro-5-(phenylsulphonyl)aniline?
The CAS number of 2-Chloro-5-(phenylsulphonyl)aniline is 85508-35-6.
What is the molecular formula of 2-Chloro-5-(phenylsulphonyl)aniline?
The molecular formula of 2-Chloro-5-(phenylsulphonyl)aniline is C12H10ClNO2S.
What is the molecular weight of 2-Chloro-5-(phenylsulphonyl)aniline?
The molecular weight of 2-Chloro-5-(phenylsulphonyl)aniline is 267.01 g/mol.
Where can I buy 2-Chloro-5-(phenylsulphonyl)aniline?
You can request a quote for 2-Chloro-5-(phenylsulphonyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-5-(phenylsulphonyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-5-(phenylsulphonyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.