N-(1,1-dioxothiolan-3-yl)-3-nitrobenzamide
TL;DR: N-(1,1-dioxothiolan-3-yl)-3-nitrobenzamide (CAS 303015-88-5) is a chemical compound with molecular formula C11H12N2O5S and molecular weight 284.0467 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1,1-dioxothiolan-3-yl)-3-nitrobenzamide
Also Known As: BAS 02235103, N-(1,1-dioxothiolan-3-yl)-3-nitrobenzamide, AE-848/11243171, N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-nitrobenzamide, N-(1,1-dioxidotetrahydro-3-thienyl)-3-nitrobenzamide
Technical Specifications
| Molecular Formula | C11H12N2O5S |
| Molecular Weight | 284.0467 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.0467 Da |
| Heavy Atoms | 19 |
| Complexity | 464.0 |
| SMILES | C1CS(=O)(=O)CC1NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | AAXPHODBGLIIGI-UHFFFAOYSA-N |
Chemical Property Profile of N-(1,1-dioxothiolan-3-yl)-3-nitrobenzamide
Property Insights of N-(1,1-dioxothiolan-3-yl)-3-nitrobenzamide
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,1-dioxothiolan-3-yl)-3-nitrobenzamide. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,1-dioxothiolan-3-yl)-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(1,1-dioxothiolan-3-yl)-3-nitrobenzamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(1,1-dioxothiolan-3-yl)-3-nitrobenzamide?
The CAS number of N-(1,1-dioxothiolan-3-yl)-3-nitrobenzamide is 303015-88-5.
What is the molecular formula of N-(1,1-dioxothiolan-3-yl)-3-nitrobenzamide?
The molecular formula of N-(1,1-dioxothiolan-3-yl)-3-nitrobenzamide is C11H12N2O5S.
What is the molecular weight of N-(1,1-dioxothiolan-3-yl)-3-nitrobenzamide?
The molecular weight of N-(1,1-dioxothiolan-3-yl)-3-nitrobenzamide is 284.0467 g/mol.
Where can I buy N-(1,1-dioxothiolan-3-yl)-3-nitrobenzamide?
You can request a quote for N-(1,1-dioxothiolan-3-yl)-3-nitrobenzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(1,1-dioxothiolan-3-yl)-3-nitrobenzamide?
Yes, CoreyChem provides custom synthesis services for N-(1,1-dioxothiolan-3-yl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.