4-bromo-N-(2,4-dinitronaphthalen-1-yl)benzenesulfonamide
TL;DR: 4-bromo-N-(2,4-dinitronaphthalen-1-yl)benzenesulfonamide (CAS 52077-99-3) is a chemical compound with molecular formula C16H10BrN3O6S and molecular weight 450.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-N-(2,4-dinitronaphthalen-1-yl)benzenesulfonamide
Also Known As: Benzenesulfonamide,4-dinitro-1-naphthalenyl)-, 4-bromo-N-(2,4-dinitronaphthalen-1-yl)benzenesulfonamide, 4-Bromo-N-(2,4-dinitronaphthalen-1-yl)benzene-1-sulfonamide
| Molecular Formula | C16H10BrN3O6S |
|---|---|
| Molecular Weight | 450.95 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 450.94736 |
| Heavy Atoms | 27 |
| Complexity | 665.0 |
Chemical Identifiers
| CAS Number | 52077-99-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC(=C2NS(=O)(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | HRYLOGYMMHKSGH-UHFFFAOYSA-N |
Product Overview
4-bromo-N-(2,4-dinitronaphthalen-1-yl)benzenesulfonamide (CAS 52077-99-3), with molecular formula C16H10BrN3O6S and molecular weight 450.95 g/mol. IUPAC: 4-bromo-N-(2,4-dinitronaphthalen-1-yl)benzenesulfonamide.
Chemical Property Profile of 4-bromo-N-(2,4-dinitronaphthalen-1-yl)benzenesulfonamide
Property Insights of 4-bromo-N-(2,4-dinitronaphthalen-1-yl)benzenesulfonamide
The XLogP value of 4.6 indicates that 4-bromo-N-(2,4-dinitronaphthalen-1-yl)benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.0 Ų indicates high polarity, suggesting 4-bromo-N-(2,4-dinitronaphthalen-1-yl)benzenesulfonamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-bromo-N-(2,4-dinitronaphthalen-1-yl)benzenesulfonamide has 1 hydrogen bond donor(s) and 7 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 4-bromo-N-(2,4-dinitronaphthalen-1-yl)benzenesulfonamide?
The CAS number of 4-bromo-N-(2,4-dinitronaphthalen-1-yl)benzenesulfonamide is 52077-99-3.
What is the molecular formula of 4-bromo-N-(2,4-dinitronaphthalen-1-yl)benzenesulfonamide?
The molecular formula of 4-bromo-N-(2,4-dinitronaphthalen-1-yl)benzenesulfonamide is C16H10BrN3O6S.
What is the molecular weight of 4-bromo-N-(2,4-dinitronaphthalen-1-yl)benzenesulfonamide?
The molecular weight of 4-bromo-N-(2,4-dinitronaphthalen-1-yl)benzenesulfonamide is 450.95 g/mol.
Where can I buy 4-bromo-N-(2,4-dinitronaphthalen-1-yl)benzenesulfonamide?
You can request a quote for 4-bromo-N-(2,4-dinitronaphthalen-1-yl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromo-N-(2,4-dinitronaphthalen-1-yl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-N-(2,4-dinitronaphthalen-1-yl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.