N-(2-methyl-5-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
TL;DR: N-(2-methyl-5-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CAS 1026963-12-1) is a chemical compound with molecular formula C15H14N2O6S and molecular weight 350.05725 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-methyl-5-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Also Known As: 2,3-Dihydro-N-(2-methyl-5-nitrophenyl)-1,4-benzodioxin-6-sulfonamide, N-(2-methyl-5-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Technical Specifications
| Molecular Formula | C15H14N2O6S |
| Molecular Weight | 350.05725 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.05725 Da |
| Heavy Atoms | 24 |
| Complexity | 557.0 |
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC3=C(C=C2)OCCO3 |
| InChIKey | GSZITTSASOQZCW-UHFFFAOYSA-N |
Chemical Property Profile of N-(2-methyl-5-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Property Insights of N-(2-methyl-5-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-methyl-5-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-methyl-5-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide. Following Lipinski's Rule of Five, N-(2-methyl-5-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(2-methyl-5-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The CAS number of N-(2-methyl-5-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is 1026963-12-1.
What is the molecular formula of N-(2-methyl-5-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The molecular formula of N-(2-methyl-5-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is C15H14N2O6S.
What is the molecular weight of N-(2-methyl-5-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The molecular weight of N-(2-methyl-5-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is 350.05725 g/mol.
Where can I buy N-(2-methyl-5-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
You can request a quote for N-(2-methyl-5-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(2-methyl-5-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
Yes, CoreyChem provides custom synthesis services for N-(2-methyl-5-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.