4-(3-Chloro-benzenesulfonyl)-aniline
TL;DR: 4-(3-Chloro-benzenesulfonyl)-aniline (CAS 90309-26-5) 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.
4-(3-chlorophenyl)sulfonylaniline
Also Known As: Sulfone Analogs, 4-(3-chlorophenyl)sulfonylaniline, 4-(3-chloro-benzenesulfonyl)-aniline, 4-((3-Chlorophenyl)sulfonyl)aniline, 4-[(3-Chlorophenyl)sulfonyl]benzenamine
| Molecular Formula | C12H10ClNO2S |
|---|---|
| Molecular Weight | 267.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.0121 |
| Heavy Atoms | 17 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 90309-26-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)S(=O)(=O)C2=CC=C(C=C2)N |
| InChIKey | PJJISDXBMJSJLZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(3-Chloro-benzenesulfonyl)-aniline (CAS 90309-26-5), with molecular formula C12H10ClNO2S and molecular weight 267.01 g/mol. IUPAC: 4-(3-chlorophenyl)sulfonylaniline.
Chemical Property Profile of 4-(3-Chloro-benzenesulfonyl)-aniline
Property Insights of 4-(3-Chloro-benzenesulfonyl)-aniline
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Chloro-benzenesulfonyl)-aniline. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Chloro-benzenesulfonyl)-aniline. Following Lipinski's Rule of Five, 4-(3-Chloro-benzenesulfonyl)-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-(3-Chloro-benzenesulfonyl)-aniline?
The CAS number of 4-(3-Chloro-benzenesulfonyl)-aniline is 90309-26-5.
What is the molecular formula of 4-(3-Chloro-benzenesulfonyl)-aniline?
The molecular formula of 4-(3-Chloro-benzenesulfonyl)-aniline is C12H10ClNO2S.
What is the molecular weight of 4-(3-Chloro-benzenesulfonyl)-aniline?
The molecular weight of 4-(3-Chloro-benzenesulfonyl)-aniline is 267.01 g/mol.
Where can I buy 4-(3-Chloro-benzenesulfonyl)-aniline?
You can request a quote for 4-(3-Chloro-benzenesulfonyl)-aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Chloro-benzenesulfonyl)-aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Chloro-benzenesulfonyl)-aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.