![2-Nitro-4-[(4-nitrophenyl)sulfonyl]aniline structure](/static/products/512/51224-83-0.png)
2-Nitro-4-[(4-nitrophenyl)sulfonyl]aniline
TL;DR: 2-Nitro-4-[(4-nitrophenyl)sulfonyl]aniline (CAS 51224-83-0) is a chemical compound with molecular formula C12H9N3O6S and molecular weight 323.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-4-(4-nitrophenyl)sulfonylaniline
Also Known As: 3,4-Dinitro-4-aminodiphenylsulfone, 3,4'-Dinitro-4-aminodiphenylsulfone, 2-nitro-4-(4-nitro-benzenesulfonyl)-aniline, 2-nitro-4-(4-nitrophenyl)sulfonylaniline, 3,4 -Dinitro-4-aminodiphenyl sulfone
| Molecular Formula | C12H9N3O6S |
|---|---|
| Molecular Weight | 323.02 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.0212 |
| Heavy Atoms | 22 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 51224-83-0 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-] |
| InChIKey | QCJYVHOWYPTHIZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Nitro-4-[(4-nitrophenyl)sulfonyl]aniline (CAS 51224-83-0), with molecular formula C12H9N3O6S and molecular weight 323.02 g/mol. IUPAC: 2-nitro-4-(4-nitrophenyl)sulfonylaniline.
Chemical Property Profile of 2-Nitro-4-[(4-nitrophenyl)sulfonyl]aniline
Property Insights of 2-Nitro-4-[(4-nitrophenyl)sulfonyl]aniline
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitro-4-[(4-nitrophenyl)sulfonyl]aniline. The TPSA of 160.0 Ų indicates high polarity, suggesting 2-Nitro-4-[(4-nitrophenyl)sulfonyl]aniline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Nitro-4-[(4-nitrophenyl)sulfonyl]aniline has 1 hydrogen bond donor(s) and 7 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-Nitro-4-[(4-nitrophenyl)sulfonyl]aniline?
The CAS number of 2-Nitro-4-[(4-nitrophenyl)sulfonyl]aniline is 51224-83-0.
What is the molecular formula of 2-Nitro-4-[(4-nitrophenyl)sulfonyl]aniline?
The molecular formula of 2-Nitro-4-[(4-nitrophenyl)sulfonyl]aniline is C12H9N3O6S.
What is the molecular weight of 2-Nitro-4-[(4-nitrophenyl)sulfonyl]aniline?
The molecular weight of 2-Nitro-4-[(4-nitrophenyl)sulfonyl]aniline is 323.02 g/mol.
Where can I buy 2-Nitro-4-[(4-nitrophenyl)sulfonyl]aniline?
You can request a quote for 2-Nitro-4-[(4-nitrophenyl)sulfonyl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitro-4-[(4-nitrophenyl)sulfonyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitro-4-[(4-nitrophenyl)sulfonyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.