N-(4-tert-butylphenyl)-2-nitrobenzenesulfonamide
TL;DR: N-(4-tert-butylphenyl)-2-nitrobenzenesulfonamide (CAS 866151-89-5) is a chemical compound with molecular formula C16H18N2O4S and molecular weight 334.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-tert-butylphenyl)-2-nitrobenzenesulfonamide
Also Known As: N-(4-tert-butylphenyl)-2-nitrobenzene-1-sulfonamide, N-(4-tert-butylphenyl)-2-nitrobenzenesulfonamide, N-[4-(tert-butyl)phenyl]-2-nitrobenzenesulfonamide, N-(4-tert-butylphenyl)-2-nitro-benzenesulfonamide
| Molecular Formula | C16H18N2O4S |
|---|---|
| Molecular Weight | 334.10 g/mol |
| LogP | 3.6931 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.09872 |
| Heavy Atoms | 23 |
| Complexity | 821.9039 |
Chemical Identifiers
| CAS Number | 866151-89-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-] |
Product Overview
N-(4-tert-butylphenyl)-2-nitrobenzenesulfonamide (CAS 866151-89-5), with molecular formula C16H18N2O4S and molecular weight 334.10 g/mol. IUPAC: N-(4-tert-butylphenyl)-2-nitrobenzenesulfonamide.
Chemical Property Profile of N-(4-tert-butylphenyl)-2-nitrobenzenesulfonamide
Property Insights of N-(4-tert-butylphenyl)-2-nitrobenzenesulfonamide
The XLogP value of 3.6931 indicates that N-(4-tert-butylphenyl)-2-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-(4-tert-butylphenyl)-2-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, N-(4-tert-butylphenyl)-2-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-(4-tert-butylphenyl)-2-nitrobenzenesulfonamide?
The CAS number of N-(4-tert-butylphenyl)-2-nitrobenzenesulfonamide is 866151-89-5.
What is the molecular formula of N-(4-tert-butylphenyl)-2-nitrobenzenesulfonamide?
The molecular formula of N-(4-tert-butylphenyl)-2-nitrobenzenesulfonamide is C16H18N2O4S.
What is the molecular weight of N-(4-tert-butylphenyl)-2-nitrobenzenesulfonamide?
The molecular weight of N-(4-tert-butylphenyl)-2-nitrobenzenesulfonamide is 334.10 g/mol.
Where can I buy N-(4-tert-butylphenyl)-2-nitrobenzenesulfonamide?
You can request a quote for N-(4-tert-butylphenyl)-2-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-tert-butylphenyl)-2-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-tert-butylphenyl)-2-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.