3,3'-Sulphonyldianiline
TL;DR: 3,3'-Sulphonyldianiline (CAS 599-61-1) is a chemical compound with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-aminophenyl)sulfonylaniline
Also Known As: 3,3'-Sulfonyldianiline, Bis(3-aminophenyl) Sulfone, 3,3'-Sulphonyldianiline, 3,3'-Diaminodiphenyl sulfone, 3-Aminophenyl sulfone
| Molecular Formula | C12H12N2O2S |
|---|---|
| Molecular Weight | 248.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.06195 |
| Heavy Atoms | 17 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 599-61-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)C2=CC=CC(=C2)N)N |
| InChIKey | LJGHYPLBDBRCRZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3'-Sulphonyldianiline (CAS 599-61-1), with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol. IUPAC: 3-(3-aminophenyl)sulfonylaniline.
Chemical Property Profile of 3,3'-Sulphonyldianiline
Property Insights of 3,3'-Sulphonyldianiline
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-Sulphonyldianiline. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-Sulphonyldianiline. Following Lipinski's Rule of Five, 3,3'-Sulphonyldianiline has 2 hydrogen bond donor(s) and 4 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 3,3'-Sulphonyldianiline?
The CAS number of 3,3'-Sulphonyldianiline is 599-61-1.
What is the molecular formula of 3,3'-Sulphonyldianiline?
The molecular formula of 3,3'-Sulphonyldianiline is C12H12N2O2S.
What is the molecular weight of 3,3'-Sulphonyldianiline?
The molecular weight of 3,3'-Sulphonyldianiline is 248.06 g/mol.
Where can I buy 3,3'-Sulphonyldianiline?
You can request a quote for 3,3'-Sulphonyldianiline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-Sulphonyldianiline?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Sulphonyldianiline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.