3-bromo-N-methyl-N-nitrobenzenesulfonamide
TL;DR: 3-bromo-N-methyl-N-nitrobenzenesulfonamide (CAS 86674-12-6) is a chemical compound with molecular formula C7H7BrN2O4S and molecular weight 293.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-methyl-N-nitrobenzenesulfonamide
Also Known As: 3-bromo-N-methyl-N-nitrobenzenesulfonamide, [(3-bromophenyl)sulfonyl]methylnitroamine
| Molecular Formula | C7H7BrN2O4S |
|---|---|
| Molecular Weight | 293.93 g/mol |
| LogP | 1.2613 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.931 |
| Heavy Atoms | 15 |
| Complexity | 487.5185 |
Chemical Identifiers
| CAS Number | 86674-12-6 |
|---|---|
| SMILES | CN([N+](=O)[O-])S(=O)(=O)C1=CC(=CC=C1)Br |
Product Overview
3-bromo-N-methyl-N-nitrobenzenesulfonamide (CAS 86674-12-6), with molecular formula C7H7BrN2O4S and molecular weight 293.93 g/mol. IUPAC: 3-bromo-N-methyl-N-nitrobenzenesulfonamide.
Chemical Property Profile of 3-bromo-N-methyl-N-nitrobenzenesulfonamide
Property Insights of 3-bromo-N-methyl-N-nitrobenzenesulfonamide
The XLogP value of 1.2613 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-bromo-N-methyl-N-nitrobenzenesulfonamide. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-bromo-N-methyl-N-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, 3-bromo-N-methyl-N-nitrobenzenesulfonamide has 0 hydrogen bond donor(s) and 4 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-bromo-N-methyl-N-nitrobenzenesulfonamide?
The CAS number of 3-bromo-N-methyl-N-nitrobenzenesulfonamide is 86674-12-6.
What is the molecular formula of 3-bromo-N-methyl-N-nitrobenzenesulfonamide?
The molecular formula of 3-bromo-N-methyl-N-nitrobenzenesulfonamide is C7H7BrN2O4S.
What is the molecular weight of 3-bromo-N-methyl-N-nitrobenzenesulfonamide?
The molecular weight of 3-bromo-N-methyl-N-nitrobenzenesulfonamide is 293.93 g/mol.
Where can I buy 3-bromo-N-methyl-N-nitrobenzenesulfonamide?
You can request a quote for 3-bromo-N-methyl-N-nitrobenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-bromo-N-methyl-N-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-N-methyl-N-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.