1-(4-Nitrobenzenesulfonyl)azepane
TL;DR: 1-(4-Nitrobenzenesulfonyl)azepane (CAS 153439-47-5) is a chemical compound with molecular formula C12H16N2O4S and molecular weight 284.08307 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-nitrophenyl)sulfonylazepane
Also Known As: 1-(4-nitrophenyl)sulfonylazepane, 1-[(4-nitrophenyl)sulfonyl]azepane, 1-(4-nitro-benzenesulfonyl)-azepane, 1-(4-NITROBENZENESULFONYL)AZEPANE, N,N-Hexamethylen-4-nitrobenzol-sulfonamid
Technical Specifications
| Molecular Formula | C12H16N2O4S |
| Molecular Weight | 284.08307 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.08307 Da |
| Heavy Atoms | 19 |
| Complexity | 396.0 |
| SMILES | C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | QMOYHHIPLJSTFQ-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Nitrobenzenesulfonyl)azepane
Property Insights of 1-(4-Nitrobenzenesulfonyl)azepane
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Nitrobenzenesulfonyl)azepane. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Nitrobenzenesulfonyl)azepane. Following Lipinski's Rule of Five, 1-(4-Nitrobenzenesulfonyl)azepane has 0 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 1-(4-Nitrobenzenesulfonyl)azepane?
The CAS number of 1-(4-Nitrobenzenesulfonyl)azepane is 153439-47-5.
What is the molecular formula of 1-(4-Nitrobenzenesulfonyl)azepane?
The molecular formula of 1-(4-Nitrobenzenesulfonyl)azepane is C12H16N2O4S.
What is the molecular weight of 1-(4-Nitrobenzenesulfonyl)azepane?
The molecular weight of 1-(4-Nitrobenzenesulfonyl)azepane is 284.08307 g/mol.
Where can I buy 1-(4-Nitrobenzenesulfonyl)azepane?
You can request a quote for 1-(4-Nitrobenzenesulfonyl)azepane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Nitrobenzenesulfonyl)azepane?
Yes, CoreyChem provides custom synthesis services for 1-(4-Nitrobenzenesulfonyl)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.