![N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-nitrobenzenesulfonamide structure](/static/products/1005/1005591-06-9.webp)
N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-nitrobenzenesulfonamide
TL;DR: N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-nitrobenzenesulfonamide (CAS 1005591-06-9) is a chemical compound with molecular formula C17H15BrN4O4S and molecular weight 450.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-nitrobenzenesulfonamide
Also Known As: N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-nitrobenzenesulfonamide, N-[4-bromo-1-(4-methylbenzyl)-1H-pyrazol-3-yl]-3-nitrobenzenesulfonamide, N-[4-BROMO-1-(4-METHYLBENZYL)-1H-PYRAZOL-3-YL]-3-NITRO-1-BENZENESULFONAMIDE, N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-nitro-benzenesulfonamide
| Molecular Formula | C17H15BrN4O4S |
|---|---|
| Molecular Weight | 450.00 g/mol |
| LogP | 3.71132 |
| Topological Polar Surface Area | 107.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.99973 |
| Heavy Atoms | 27 |
| Complexity | 1094.3761 |
Chemical Identifiers
| CAS Number | 1005591-06-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C=C(C(=N2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])Br |
Product Overview
N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-nitrobenzenesulfonamide (CAS 1005591-06-9), with molecular formula C17H15BrN4O4S and molecular weight 450.00 g/mol. IUPAC: N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-nitrobenzenesulfonamide.
Chemical Property Profile of N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-nitrobenzenesulfonamide
Property Insights of N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-nitrobenzenesulfonamide
The XLogP value of 3.71132 indicates that N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-nitrobenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.13 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-nitrobenzenesulfonamide 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 N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-nitrobenzenesulfonamide?
The CAS number of N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-nitrobenzenesulfonamide is 1005591-06-9.
What is the molecular formula of N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-nitrobenzenesulfonamide?
The molecular formula of N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-nitrobenzenesulfonamide is C17H15BrN4O4S.
What is the molecular weight of N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-nitrobenzenesulfonamide?
The molecular weight of N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-nitrobenzenesulfonamide is 450.00 g/mol.
Where can I buy N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-nitrobenzenesulfonamide?
You can request a quote for N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-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-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.