3-Nitrobenzenesulfonanilide
TL;DR: 3-Nitrobenzenesulfonanilide (CAS 28791-26-6) is a chemical compound with molecular formula C12H10N2O4S and molecular weight 278.03613 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-nitro-N-phenylbenzenesulfonamide
Also Known As: 3-nitro-n-phenylbenzenesulfonamide, Benzenesulfonamide, 3-nitro-N-phenyl-, Macrocarpal I, m-Nitro-N-phenylbenzenesulphonamide, m-Nitrobenzenesulfonanilide
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H10N2O4S |
| Molecular Weight | 278.03613 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.03613 Da |
| Heavy Atoms | 19 |
| Complexity | 406.0 |
| SMILES | C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] |
| InChIKey | OXJDTNIWMQCOQT-UHFFFAOYSA-N |
Chemical Property Profile of 3-Nitrobenzenesulfonanilide
Property Insights of 3-Nitrobenzenesulfonanilide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitrobenzenesulfonanilide. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitrobenzenesulfonanilide. Following Lipinski's Rule of Five, 3-Nitrobenzenesulfonanilide 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 3-Nitrobenzenesulfonanilide?
The CAS number of 3-Nitrobenzenesulfonanilide is 28791-26-6.
What is the molecular formula of 3-Nitrobenzenesulfonanilide?
The molecular formula of 3-Nitrobenzenesulfonanilide is C12H10N2O4S.
What is the molecular weight of 3-Nitrobenzenesulfonanilide?
The molecular weight of 3-Nitrobenzenesulfonanilide is 278.03613 g/mol.
Where can I buy 3-Nitrobenzenesulfonanilide?
You can request a quote for 3-Nitrobenzenesulfonanilide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Nitrobenzenesulfonanilide?
Yes, CoreyChem provides custom synthesis services for 3-Nitrobenzenesulfonanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.