N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-5-nitrobenzenesulfonamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-5-nitrobenzenesulfonamide (CAS 433240-51-8) is a chemical compound with molecular formula C16H16N2O6S and molecular weight 364.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-5-nitrobenzenesulfonamide
Also Known As: AB00122129-01, F1044-0039, N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-5-nitrobenzenesulfonamide, N-(benzo[d][1,3]dioxol-5-ylmethyl)-2,4-dimethyl-5-nitrobenzenesulfonamide, N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dimethyl-5-nitrobenzene-1-sulfonamide
| Molecular Formula | C16H16N2O6S |
|---|---|
| Molecular Weight | 364.07 g/mol |
| LogP | 2.41884 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.0729 |
| Heavy Atoms | 25 |
| Complexity | 955.3376 |
Chemical Identifiers
| CAS Number | 433240-51-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)NCC2=CC3=C(C=C2)OCO3)C |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-5-nitrobenzenesulfonamide (CAS 433240-51-8), with molecular formula C16H16N2O6S and molecular weight 364.07 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-5-nitrobenzenesulfonamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-5-nitrobenzenesulfonamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-5-nitrobenzenesulfonamide
The XLogP value of 2.41884 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-5-nitrobenzenesulfonamide. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-5-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-5-nitrobenzenesulfonamide has 1 hydrogen bond donor(s) and 6 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-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-5-nitrobenzenesulfonamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-5-nitrobenzenesulfonamide is 433240-51-8.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-5-nitrobenzenesulfonamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-5-nitrobenzenesulfonamide is C16H16N2O6S.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-5-nitrobenzenesulfonamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-5-nitrobenzenesulfonamide is 364.07 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-5-nitrobenzenesulfonamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-5-nitrobenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-5-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-5-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.