N-heptyl-4-nitrobenzenesulfonamide
TL;DR: N-heptyl-4-nitrobenzenesulfonamide (CAS 107618-53-1) is a chemical compound with molecular formula C13H20N2O4S and molecular weight 300.11438 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-heptyl-4-nitrobenzenesulfonamide
Also Known As: N-heptyl-4-nitrobenzenesulfonamide, N-heptyl-4-nitro-benzenesulfonamide, N-Heptyl-4-nitrobenzenesulfonamideE, N-Heptyl-4-nitrobenzene-1-sulfonamide
Technical Specifications
| Molecular Formula | C13H20N2O4S |
| Molecular Weight | 300.11438 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 300.11438 Da |
| Heavy Atoms | 20 |
| Complexity | 378.0 |
| SMILES | CCCCCCCNS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | GJBHKLHWFSXQGR-UHFFFAOYSA-N |
Chemical Property Profile of N-heptyl-4-nitrobenzenesulfonamide
Property Insights of N-heptyl-4-nitrobenzenesulfonamide
The XLogP value of 3.6 indicates that N-heptyl-4-nitrobenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-heptyl-4-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, N-heptyl-4-nitrobenzenesulfonamide 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-heptyl-4-nitrobenzenesulfonamide?
The CAS number of N-heptyl-4-nitrobenzenesulfonamide is 107618-53-1.
What is the molecular formula of N-heptyl-4-nitrobenzenesulfonamide?
The molecular formula of N-heptyl-4-nitrobenzenesulfonamide is C13H20N2O4S.
What is the molecular weight of N-heptyl-4-nitrobenzenesulfonamide?
The molecular weight of N-heptyl-4-nitrobenzenesulfonamide is 300.11438 g/mol.
Where can I buy N-heptyl-4-nitrobenzenesulfonamide?
You can request a quote for N-heptyl-4-nitrobenzenesulfonamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-heptyl-4-nitrobenzenesulfonamide?
Yes, CoreyChem provides custom synthesis services for N-heptyl-4-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.