CHEBI:144093 - N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide

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ChEBI Name N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide
ChEBI ID CHEBI:144093
ChEBI ASCII Name N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide
Definition A member of the class of (trifluoromethyl)benzenes that is 4-amino-2-(trifluoromethyl)benzonitrile in which one of the amino hydrogens is substituted by a 3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanoyl group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C18H14F4N2O4S
Net Charge 0
Average Mass 430.370
Monoisotopic Mass 430.06104
InChI InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)
InChIKey LKJPYSCBVHEWIU-UHFFFAOYSA-N
SMILES C=1(C(=CC=C(C1)NC(C(CS(C=2C=CC(=CC2)F)(=O)=O)(O)C)=O)C#N)C(F)(F)F
ChEBI Ontology
Outgoing N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide (CHEBI:144093) is a (trifluoromethyl)benzenes (CHEBI:83565)
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide (CHEBI:144093) is a monocarboxylic acid amide (CHEBI:29347)
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide (CHEBI:144093) is a monofluorobenzenes (CHEBI:83575)
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide (CHEBI:144093) is a nitrile (CHEBI:18379)
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide (CHEBI:144093) is a sulfone (CHEBI:35850)
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide (CHEBI:144093) is a tertiary alcohol (CHEBI:26878)
Incoming (R)-bicalutamide (CHEBI:39589) is a N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide (CHEBI:144093)
(S)-bicalutamide (CHEBI:144094) is a N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide (CHEBI:144093)
IUPAC Name
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide
Last Modified
18 July 2019
General Comment
2019-07-18 This is material with unspecified stereochemistry. There are separate entries for the racemate bicalutamide and its individual enantiomers, (R)-bicalutamide and (S)-bicalutamide.