N-(3-bromophenyl)-4-methyl-3-nitrobenzenesulfonamide
TL;DR: N-(3-bromophenyl)-4-methyl-3-nitrobenzenesulfonamide (CAS 333454-95-8) is a chemical compound with molecular formula C13H11BrN2O4S and molecular weight 369.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-bromophenyl)-4-methyl-3-nitrobenzenesulfonamide
Also Known As: N-(3-bromophenyl)-4-methyl-3-nitrobenzenesulfonamide, BAS 02199670, N-(3-bromophenyl)-3-nitro-4-methylbenzenesulfonamide, (3-bromophenyl)[(4-methyl-3-nitrophenyl)sulfonyl]amine, N-(3-Bromo-phenyl)-4-methyl-3-nitro-benzenesulfonamide
| Molecular Formula | C13H11BrN2O4S |
|---|---|
| Molecular Weight | 369.96 g/mol |
| LogP | 3.46652 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.96228 |
| Heavy Atoms | 21 |
| Complexity | 805.5686 |
Chemical Identifiers
| CAS Number | 333454-95-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)Br)[N+](=O)[O-] |
Product Overview
N-(3-bromophenyl)-4-methyl-3-nitrobenzenesulfonamide (CAS 333454-95-8), with molecular formula C13H11BrN2O4S and molecular weight 369.96 g/mol. IUPAC: N-(3-bromophenyl)-4-methyl-3-nitrobenzenesulfonamide.
Chemical Property Profile of N-(3-bromophenyl)-4-methyl-3-nitrobenzenesulfonamide
Property Insights of N-(3-bromophenyl)-4-methyl-3-nitrobenzenesulfonamide
The XLogP value of 3.46652 indicates that N-(3-bromophenyl)-4-methyl-3-nitrobenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.31 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-bromophenyl)-4-methyl-3-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, N-(3-bromophenyl)-4-methyl-3-nitrobenzenesulfonamide has 1 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 N-(3-bromophenyl)-4-methyl-3-nitrobenzenesulfonamide?
The CAS number of N-(3-bromophenyl)-4-methyl-3-nitrobenzenesulfonamide is 333454-95-8.
What is the molecular formula of N-(3-bromophenyl)-4-methyl-3-nitrobenzenesulfonamide?
The molecular formula of N-(3-bromophenyl)-4-methyl-3-nitrobenzenesulfonamide is C13H11BrN2O4S.
What is the molecular weight of N-(3-bromophenyl)-4-methyl-3-nitrobenzenesulfonamide?
The molecular weight of N-(3-bromophenyl)-4-methyl-3-nitrobenzenesulfonamide is 369.96 g/mol.
Where can I buy N-(3-bromophenyl)-4-methyl-3-nitrobenzenesulfonamide?
You can request a quote for N-(3-bromophenyl)-4-methyl-3-nitrobenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-bromophenyl)-4-methyl-3-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-bromophenyl)-4-methyl-3-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.