3-硝基-N-(邻甲苯基)苯磺酰胺
TL;DR: 3-硝基-N-(邻甲苯基)苯磺酰胺 (CAS 385799-33-7) is a chemical compound with molecular formula C13H12N2O4S and molecular weight 292.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-硝基-N-(邻甲苯基)苯磺酰胺
N-(2-methylphenyl)-3-nitrobenzenesulfonamide
Also Known As: starbld0003258, 3-nitro-N-(o-tolyl)benzenesulfonamide, N-(2-methylphenyl)-3-nitrobenzenesulfonamide, 3-Nitro-benzolsulfonsaeure-o-toluidid, 3-nitro-N-(2-tolyl)benzenesulfonamide
| Molecular Formula | C13H12N2O4S |
|---|---|
| Molecular Weight | 292.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.0518 |
| Heavy Atoms | 20 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 385799-33-7 |
|---|---|
| SMILES | CC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] |
| InChIKey | SZBNIELWCMBOEY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-硝基-N-(邻甲苯基)苯磺酰胺 (CAS 385799-33-7), with molecular formula C13H12N2O4S and molecular weight 292.05 g/mol. IUPAC: N-(2-methylphenyl)-3-nitrobenzenesulfonamide.
Chemical Property Profile of 3-硝基-N-(邻甲苯基)苯磺酰胺
Property Insights of 3-硝基-N-(邻甲苯基)苯磺酰胺
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-硝基-N-(邻甲苯基)苯磺酰胺. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-硝基-N-(邻甲苯基)苯磺酰胺. Following Lipinski's Rule of Five, 3-硝基-N-(邻甲苯基)苯磺酰胺 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 3-硝基-N-(邻甲苯基)苯磺酰胺?
The CAS number of 3-硝基-N-(邻甲苯基)苯磺酰胺 is 385799-33-7.
What is the molecular formula of 3-硝基-N-(邻甲苯基)苯磺酰胺?
The molecular formula of 3-硝基-N-(邻甲苯基)苯磺酰胺 is C13H12N2O4S.
What is the molecular weight of 3-硝基-N-(邻甲苯基)苯磺酰胺?
The molecular weight of 3-硝基-N-(邻甲苯基)苯磺酰胺 is 292.05 g/mol.
Where can I buy 3-硝基-N-(邻甲苯基)苯磺酰胺?
You can request a quote for 3-硝基-N-(邻甲苯基)苯磺酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-硝基-N-(邻甲苯基)苯磺酰胺?
Yes, KEHONG BIO provides custom synthesis services for 3-硝基-N-(邻甲苯基)苯磺酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.