2-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-N-(3-hydroxypropyl)-4,5-dimethoxybenzenesulfonamide
Basic information
- CAS
433699-69-5- Standard SMILES
COc1cc(CCN2C(=O)c3cccc4cccc(c34)C2=O)c(S(=O)(=O)NCCCO)cc1OC- InChIKey
ZUAVKJVSSYUKDG-UHFFFAOYSA-N- Molecular formula
- C25H26N2O7S
- Average molar mass
- 498.5 g/mol
Names & identifiers
- Preferred name
- 2-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-N-(3-hydroxypropyl)-4,5-dimethoxybenzenesulfonamide
- IUPAC
- 2-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-(3-hydroxypropyl)-4,5-dimethoxybenzenesulfonamide
- English name
- 2-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-N-(3-hydroxypropyl)-4,5-dimethoxybenzenesulfonamide
- Molecular formula
- C25H26N2O7S
- Molecular weight
- 498.55
Names & synonyms
433699-69-52-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-N-(3-hydroxypropyl)-4,5-dimethoxybenzenesulfonamide2-(2-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-3-yl}ethyl)-N-(3-hydroxypropyl)-4,5-dimethoxybenzene-1-sulfonamide2-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-N-(3-hydroxypropyl)-4,5-dimethoxybenzenesulfonamideSMR000196760MLS000575725MLS003905805CHEMBL1335935HMS2346M15STK806911AKOS0008071922-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-(3-hydroxypropyl)-4,5-dimethoxybenzenesulfonamide
Show more names
Benzenesulfonamide, 2-[2-(1,3-dioxo-1H-benz[de]isoquinolin-2(3H)-yl)ethyl]-N-(3-hydroxypropyl)-4,5-dimethoxy-
ST50776332VU0228422-4SR-01000497027SR-01000497027-1F1081-0075
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 830
Physicochemical properties
- Boiling point
- 736.8 · 736.8±70.0 °C(Predicted)
- Density
- 1.369 · 1.369±0.06 g/cm3(Predicted)
- pka
- 11.28 · 11.28±0.50(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…