TL;DR: N-{1-[N'-(1,3-dioxaindane-5-carbonyl)hydrazinecarbonyl]ethyl}-2-phenylethene-1-sulfonamide (CAS 1494397-01-1) is a chemical compound with molecular formula C19H19N3O6S and molecular weight 417.09946 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-N-[1-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-2-phenylethenesulfonamide
Also Known As: N-{1-[N'-(1,3-dioxaindane-5-carbonyl)hydrazinecarbonyl]ethyl}-2-phenylethene-1-sulfonamide, (E)-N-[1-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-2-phenylethenesulfonamide
| Molecular Formula | C19H19N3O6S |
| Molecular Weight | 417.09946 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 131.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.09946 Da |
| Heavy Atoms | 29 |
| Complexity | 714.0 |
| SMILES | CC(C(=O)NNC(=O)C1=CC2=C(C=C1)OCO2)NS(=O)(=O)/C=C/C3=CC=CC=C3 |
| InChIKey | HKHYWIVGOOCBGW-MDZDMXLPSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-{1-[N'-(1,3-dioxaindane-5-carbonyl)hydrazinecarbonyl]ethyl}-2-phenylethene-1-sulfonamide. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{1-[N'-(1,3-dioxaindane-5-carbonyl)hydrazinecarbonyl]ethyl}-2-phenylethene-1-sulfonamide. Following Lipinski's Rule of Five, N-{1-[N'-(1,3-dioxaindane-5-carbonyl)hydrazinecarbonyl]ethyl}-2-phenylethene-1-sulfonamide has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-{1-[N'-(1,3-dioxaindane-5-carbonyl)hydrazinecarbonyl]ethyl}-2-phenylethene-1-sulfonamide is 1494397-01-1.
The molecular formula of N-{1-[N'-(1,3-dioxaindane-5-carbonyl)hydrazinecarbonyl]ethyl}-2-phenylethene-1-sulfonamide is C19H19N3O6S.
The molecular weight of N-{1-[N'-(1,3-dioxaindane-5-carbonyl)hydrazinecarbonyl]ethyl}-2-phenylethene-1-sulfonamide is 417.09946 g/mol.
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