dioxo-lambda~6~-sulfane structure](/static/products/516/51682-16-7.png)
[(Anilinocarbonyl)amino](4-nitrophenyl)dioxo-lambda~6~-sulfane
TL;DR: [(Anilinocarbonyl)amino](4-nitrophenyl)dioxo-lambda~6~-sulfane (CAS 51682-16-7) is a chemical compound with molecular formula C13H11N3O5S and molecular weight 321.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrophenyl)sulfonyl-3-phenylurea
Also Known As: 1-(4-nitrophenyl)sulfonyl-3-phenylurea, 3-(4-nitrobenzenesulfonyl)-1-phenylurea, 4-nitro-n-(phenylcarbamoyl)benzenesulfonamide, 1-(4-Nitrophenyl)sulfonyl-3-phenyl-urea, [(anilinocarbonyl)amino](4-nitrophenyl)dioxo-lambda~6~-sulfane
| Molecular Formula | C13H11N3O5S |
|---|---|
| Molecular Weight | 321.04 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.04193 |
| Heavy Atoms | 22 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 51682-16-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | ATVMLALNRDJPQK-UHFFFAOYSA-N |
Product Overview
[(Anilinocarbonyl)amino](4-nitrophenyl)dioxo-lambda~6~-sulfane (CAS 51682-16-7), with molecular formula C13H11N3O5S and molecular weight 321.04 g/mol. IUPAC: 1-(4-nitrophenyl)sulfonyl-3-phenylurea.
Chemical Property Profile of [(Anilinocarbonyl)amino](4-nitrophenyl)dioxo-lambda~6~-sulfane
Property Insights of [(Anilinocarbonyl)amino](4-nitrophenyl)dioxo-lambda~6~-sulfane
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(Anilinocarbonyl)amino](4-nitrophenyl)dioxo-lambda~6~-sulfane. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [(Anilinocarbonyl)amino](4-nitrophenyl)dioxo-lambda~6~-sulfane. Following Lipinski's Rule of Five, [(Anilinocarbonyl)amino](4-nitrophenyl)dioxo-lambda~6~-sulfane has 2 hydrogen bond donor(s) and 5 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 [(Anilinocarbonyl)amino](4-nitrophenyl)dioxo-lambda~6~-sulfane?
The CAS number of [(Anilinocarbonyl)amino](4-nitrophenyl)dioxo-lambda~6~-sulfane is 51682-16-7.
What is the molecular formula of [(Anilinocarbonyl)amino](4-nitrophenyl)dioxo-lambda~6~-sulfane?
The molecular formula of [(Anilinocarbonyl)amino](4-nitrophenyl)dioxo-lambda~6~-sulfane is C13H11N3O5S.
What is the molecular weight of [(Anilinocarbonyl)amino](4-nitrophenyl)dioxo-lambda~6~-sulfane?
The molecular weight of [(Anilinocarbonyl)amino](4-nitrophenyl)dioxo-lambda~6~-sulfane is 321.04 g/mol.
Where can I buy [(Anilinocarbonyl)amino](4-nitrophenyl)dioxo-lambda~6~-sulfane?
You can request a quote for [(Anilinocarbonyl)amino](4-nitrophenyl)dioxo-lambda~6~-sulfane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(Anilinocarbonyl)amino](4-nitrophenyl)dioxo-lambda~6~-sulfane?
Yes, KEHONG BIO provides custom synthesis services for [(Anilinocarbonyl)amino](4-nitrophenyl)dioxo-lambda~6~-sulfane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.