N-tert-butyl-4-methyl-3-nitrobenzenesulfonamide
TL;DR: N-tert-butyl-4-methyl-3-nitrobenzenesulfonamide (CAS 326898-53-7) is a chemical compound with molecular formula C11H16N2O4S and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-4-methyl-3-nitrobenzenesulfonamide
Also Known As: N-tert-butyl-4-methyl-3-nitrobenzenesulfonamide, K-7580, AB00076481-01, N-tert-butyl-4-methyl-3-nitro-benzenesulfonamide, N-(tert-butyl)-3-nitro-4-methylbenzenesulfonamide
| Molecular Formula | C11H16N2O4S |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 1.98002 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.08307 |
| Heavy Atoms | 18 |
| Complexity | 573.1963 |
Chemical Identifiers
| CAS Number | 326898-53-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-] |
Product Overview
N-tert-butyl-4-methyl-3-nitrobenzenesulfonamide (CAS 326898-53-7), with molecular formula C11H16N2O4S and molecular weight 272.08 g/mol. IUPAC: N-tert-butyl-4-methyl-3-nitrobenzenesulfonamide.
Chemical Property Profile of N-tert-butyl-4-methyl-3-nitrobenzenesulfonamide
Property Insights of N-tert-butyl-4-methyl-3-nitrobenzenesulfonamide
The XLogP value of 1.98002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-tert-butyl-4-methyl-3-nitrobenzenesulfonamide. The TPSA of 89.31 Ų falls within the moderate polarity range, balancing permeability and solubility for N-tert-butyl-4-methyl-3-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, N-tert-butyl-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-tert-butyl-4-methyl-3-nitrobenzenesulfonamide?
The CAS number of N-tert-butyl-4-methyl-3-nitrobenzenesulfonamide is 326898-53-7.
What is the molecular formula of N-tert-butyl-4-methyl-3-nitrobenzenesulfonamide?
The molecular formula of N-tert-butyl-4-methyl-3-nitrobenzenesulfonamide is C11H16N2O4S.
What is the molecular weight of N-tert-butyl-4-methyl-3-nitrobenzenesulfonamide?
The molecular weight of N-tert-butyl-4-methyl-3-nitrobenzenesulfonamide is 272.08 g/mol.
Where can I buy N-tert-butyl-4-methyl-3-nitrobenzenesulfonamide?
You can request a quote for N-tert-butyl-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-tert-butyl-4-methyl-3-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-tert-butyl-4-methyl-3-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.