N-butyl-4-methyl-3-nitrobenzenesulfonamide
TL;DR: N-butyl-4-methyl-3-nitrobenzenesulfonamide (CAS 108227-53-8) 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-butyl-4-methyl-3-nitrobenzenesulfonamide
Also Known As: N-butyl-4-methyl-3-nitrobenzenesulfonamide, N-butyl-4-methyl-3-nitrobenzene-1-sulfonamide, N-butyl-4-methyl-3-nitro-benzenesulfonamide, butyl[(4-methyl-3-nitrophenyl)sulfonyl]amine, N-BUTYL-4-METHYL-3-NITRO-1-BENZENESULFONAMIDE
| Molecular Formula | C11H16N2O4S |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 1.98162 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 272.08307 |
| Heavy Atoms | 18 |
| Complexity | 539.97424 |
Chemical Identifiers
| CAS Number | 108227-53-8 |
|---|---|
| SMILES | CCCCNS(=O)(=O)C1=CC(=C(C=C1)C)[N+](=O)[O-] |
Product Overview
N-butyl-4-methyl-3-nitrobenzenesulfonamide (CAS 108227-53-8), with molecular formula C11H16N2O4S and molecular weight 272.08 g/mol. IUPAC: N-butyl-4-methyl-3-nitrobenzenesulfonamide.
Chemical Property Profile of N-butyl-4-methyl-3-nitrobenzenesulfonamide
Property Insights of N-butyl-4-methyl-3-nitrobenzenesulfonamide
The XLogP value of 1.98162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butyl-4-methyl-3-nitrobenzenesulfonamide. The TPSA of 89.31 Ų falls within the moderate polarity range, balancing permeability and solubility for N-butyl-4-methyl-3-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, N-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-butyl-4-methyl-3-nitrobenzenesulfonamide?
The CAS number of N-butyl-4-methyl-3-nitrobenzenesulfonamide is 108227-53-8.
What is the molecular formula of N-butyl-4-methyl-3-nitrobenzenesulfonamide?
The molecular formula of N-butyl-4-methyl-3-nitrobenzenesulfonamide is C11H16N2O4S.
What is the molecular weight of N-butyl-4-methyl-3-nitrobenzenesulfonamide?
The molecular weight of N-butyl-4-methyl-3-nitrobenzenesulfonamide is 272.08 g/mol.
Where can I buy N-butyl-4-methyl-3-nitrobenzenesulfonamide?
You can request a quote for N-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-butyl-4-methyl-3-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-4-methyl-3-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.