4-[(Z)-[1-[2-(dimethylamino)ethyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]-hydroxymethyl]-N,N-dimethylbenzenesulfonamide
Basic information
- CAS
439948-01-3- Standard SMILES
CN(C)CCN1C(=O)C(=O)/C(=C(\O)c2ccc(S(=O)(=O)N(C)C)cc2)C1c1ccccc1- InChIKey
BAHGIBAFKSNECJ-VZCXRCSSSA-N- Molecular formula
- C23H27N3O5S
- Average molar mass
- 457.5 g/mol
- Monoisotopic mass
- 457.16714214
Names & identifiers
- Preferred name
- 4-[(Z)-[1-[2-(dimethylamino)ethyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]-hydroxymethyl]-N,N-dimethylbenzenesulfonamide
- IUPAC
- 4-[(Z)-[1-[2-(dimethylamino)ethyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]-hydroxymethyl]-N,N-dimethylbenzenesulfonamide
- English name
- 4-({1-[2-(Dimethylamino)ethyl]-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-N,N-dimethylbenzenesulfonamide
- Molecular formula
- C23H27N3O5S
- Molecular weight
- 457.54
Names & synonyms
4-({1-[2-(dimethylamino)ethyl]-4-hydroxy-5-oxo-2-phenyl-2,5-dihydro-1H-pyrrol-3-yl}carbonyl)-N,N-dimethylbenzenesulfonamideSR-01000487490SR-01000487490-1Benzenesulfonamide, 4-[[1-[2-(dimethylamino)ethyl]-2,5-dihydro-4-hydroxy-5-oxo-2-phenyl-1H-pyrrol-3-yl]carbonyl]-N,N-dimethyl-
Database identifiers
- CAS
439948-01-3- PubChem CID
- 6202076
- EC Number
- 124-872-8
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 832
Physicochemical properties
- Boiling point
- 652.706 · 652.706±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.318 · 1.318±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.5 · 4.500±1.00(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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