4-nitro-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
TL;DR: 4-nitro-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide (CAS 296274-68-5) is a chemical compound with molecular formula C14H22N2O4S and molecular weight 314.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
Also Known As: BIM-0048568.P001, 4-nitro-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide, 4-nitro-N-(2,4,4-trimethylpentan-2-yl)benzene-1-sulfonamide, 4-nitro-N-(1,1,3,3-tetramethylbutyl)benzenesulfonamide, [(4-nitrophenyl)sulfonyl](1,1,3,3-tetramethylbutyl)amine
| Molecular Formula | C14H22N2O4S |
|---|---|
| Molecular Weight | 314.13 g/mol |
| LogP | 3.0879 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.13004 |
| Heavy Atoms | 21 |
| Complexity | 613.36926 |
Chemical Identifiers
| CAS Number | 296274-68-5 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
4-nitro-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide (CAS 296274-68-5), with molecular formula C14H22N2O4S and molecular weight 314.13 g/mol. IUPAC: 4-nitro-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide.
Chemical Property Profile of 4-nitro-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
Property Insights of 4-nitro-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
The XLogP value of 3.0879 indicates that 4-nitro-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide 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 4-nitro-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide. Following Lipinski's Rule of Five, 4-nitro-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide 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 4-nitro-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide?
The CAS number of 4-nitro-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide is 296274-68-5.
What is the molecular formula of 4-nitro-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide?
The molecular formula of 4-nitro-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide is C14H22N2O4S.
What is the molecular weight of 4-nitro-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide?
The molecular weight of 4-nitro-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide is 314.13 g/mol.
Where can I buy 4-nitro-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide?
You can request a quote for 4-nitro-N-(2,4,4-trimethylpentan-2-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-nitro-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-nitro-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.