Basic information
- CAS
321432-57-9- Standard SMILES
CN(C)C=CC(=O)c1ccc(S(=O)(=O)c2ccccc2)cc1- InChIKey
ICVMMSHWXIIREX-UHFFFAOYSA-N- Molecular formula
- C17H17NO3S
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 315.09291458
Overview
3-(dimethylamino)-1-[4-(phenylsulfonyl)phenyl]prop-2-en-1-one is a sulfonic acid derivative.
Names & identifiers
- Preferred name
- 1-[4-(Benzenesulfonyl)phenyl]-3-(dimethylamino)prop-2-en-1-one
- IUPAC
- 1-[4-(benzenesulfonyl)phenyl]-3-(dimethylamino)prop-2-en-1-one
- English name
- 3-(Dimethylamino)-1-[4-(phenylsulfonyl)phenyl]-2-propen-1-one
- Molecular formula
- C17H17NO3S
- Molecular weight
- 315.39
Names & synonyms
Maybridge2_000320CHEBI:228540DTXSID2011828871-[4-(benzenesulfonyl)phenyl]-3-(dimethylamino)prop-2-en-1-one1-[4-(benzenesulonyl)phenyl]-3-(dimethylamino)prop-2-en-1-one3-(dimethylamino)-1-[4-(phenylsulfonyl)phenyl]prop-2-en-1-one3-(Dimethylamino)-1-[4-(phenylsulfonyl)phenyl]-2-propen-1-one2-Propen-1-one, 3-(dimethylamino)-1-[4-(phenylsulfonyl)phenyl]-(2E)-1-[4-(benzenesulfonyl)phenyl]-3-(dimethylamino)prop-2-en-1-one
Database identifiers
- CAS
321432-57-9- PubChem CID
- 730388
- DTXSID
DTXSID201182887- ChEBI
CHEBI:228540
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 490
Physicochemical properties
- Boiling point
- 488.7 · 488.7±45.0 °C(Predicted)
- Density
- 1.214 · 1.214±0.06 g/cm3(Predicted)
- pka
- 6.2 · 6.20±0.70(Predicted)
Chemistry & industry
Suppliers2 total
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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