Basic information
- CAS
56621-53-5- Standard SMILES
CS(=O)(=O)c1ccc(C(=O)CNc2ccccc2)cc1- InChIKey
RZTKRLXEOWMDDH-UHFFFAOYSA-N- Molecular formula
- C15H15NO3S
- Average molar mass
- 289.4 g/mol
- Monoisotopic mass
- 289.07726451
Names & identifiers
- Preferred name
- Ethanone, 1-(4-(methylsulfonyl)phenyl)-2-(phenylamino)-
- IUPAC
- 2-anilino-1-(4-methylsulfonylphenyl)ethanone
Names & synonyms
BRN 2142490N-(4-Methanesulfonylphenacyl)anilineETHANONE, 1-(4-(METHYLSULFONYL)PHENYL)-2-(PHENYLAMINO)-1-(4-(Methylsulfonyl)phenyl)-2-(phenylamino)ethanone56621-53-5DTXSID40205198RefChem:341183DTXCID401276892-Anilino-1-[4-(methanesulfonyl)phenyl]ethan-1-one1-(4-(methylsulfonyl)phenyl)-2-(phenylamino)ethan-1-one
Database identifiers
- CAS
56621-53-5- PubChem CID
- 41949
- DTXSID
DTXSID40205198- Nikkaji
- J1.376.110H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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