N-(3,4-dimethoxybenzyl)-5-(2,5-dioxopyrrolidin-1-yl)-2-methoxybenzenesulfonamide
Basic information
- CAS
919694-46-5- Standard SMILES
COc1ccc(CNS(=O)(=O)c2cc(N3C(=O)CCC3=O)ccc2OC)cc1OC- InChIKey
PUUJMCODPMCYKT-UHFFFAOYSA-N- Molecular formula
- C20H22N2O7S
- Average molar mass
- 434.5 g/mol
Names & identifiers
- Preferred name
- N-(3,4-dimethoxybenzyl)-5-(2,5-dioxopyrrolidin-1-yl)-2-methoxybenzenesulfonamide
- IUPAC
- N-[(3,4-dimethoxyphenyl)methyl]-5-(2,5-dioxopyrrolidin-1-yl)-2-methoxybenzenesulfonamide
- English name
- N-(3,4-dimethoxybenzyl)-5-(2,5-dioxo-1-pyrrolidinyl)-2-methoxybenzenesulfonamide
- Molecular formula
- C20H22N2O7S
- Molecular weight
- 434.46
Names & synonyms
919694-46-5N-(3,4-dimethoxybenzyl)-5-(2,5-dioxopyrrolidin-1-yl)-2-methoxybenzenesulfonamideN-[(3,4-dimethoxyphenyl)methyl]-5-(2,5-dioxopyrrolidin-1-yl)-2-methoxybenzenesulfonamideSTK657474AKOS003074553AS-871/43475825N-(3,4-dimethoxybenzyl)-5-(2,5-dioxo-1-pyrrolidinyl)-2-methoxybenzenesulfonamideBenzenesulfonamide, N-[(3,4-dimethoxyphenyl)methyl]-5-(2,5-dioxo-1-pyrrolidinyl)-2-methoxy-
Database identifiers
- CAS
919694-46-5
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 707
Physicochemical properties
- Boiling point
- 712.6 · 712.6±70.0 °C(Predicted)
- Density
- 1.356 · 1.356±0.06 g/cm3(Predicted)
- pka
- 10.12 · 10.12±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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