2-Nitro-N-phenylbenzenesulfonamide
TL;DR: 2-Nitro-N-phenylbenzenesulfonamide (CAS 77516-53-1) is a chemical compound with molecular formula C12H10N2O4S and molecular weight 278.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-N-phenylbenzenesulfonamide
Also Known As: 2-Nitro-N-phenylbenzenesulfonamide, 2-Nitrobenzenesulfonanilide, N-cyclohexyl-2-nitrobenzenesulfonamide, 2-nitro-N-phenyl-benzenesulfonamide, Benzenesulfonamide, 2-nitro-N-phenyl-
| Molecular Formula | C12H10N2O4S |
|---|---|
| Molecular Weight | 278.04 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.03613 |
| Heavy Atoms | 19 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 77516-53-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | MLPVALKIJBKOGG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Nitro-N-phenylbenzenesulfonamide (CAS 77516-53-1), with molecular formula C12H10N2O4S and molecular weight 278.04 g/mol. IUPAC: 2-nitro-N-phenylbenzenesulfonamide.
Chemical Property Profile of 2-Nitro-N-phenylbenzenesulfonamide
Property Insights of 2-Nitro-N-phenylbenzenesulfonamide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitro-N-phenylbenzenesulfonamide. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitro-N-phenylbenzenesulfonamide. Following Lipinski's Rule of Five, 2-Nitro-N-phenylbenzenesulfonamide 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
Frequently Asked Questions
What is the CAS number of 2-Nitro-N-phenylbenzenesulfonamide?
The CAS number of 2-Nitro-N-phenylbenzenesulfonamide is 77516-53-1.
What is the molecular formula of 2-Nitro-N-phenylbenzenesulfonamide?
The molecular formula of 2-Nitro-N-phenylbenzenesulfonamide is C12H10N2O4S.
What is the molecular weight of 2-Nitro-N-phenylbenzenesulfonamide?
The molecular weight of 2-Nitro-N-phenylbenzenesulfonamide is 278.04 g/mol.
Where can I buy 2-Nitro-N-phenylbenzenesulfonamide?
You can request a quote for 2-Nitro-N-phenylbenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitro-N-phenylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitro-N-phenylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.