Compound Identification
SMILES
CN1N=C(C=C1C(=O)NCC1(C)CCC(F)(CC1)S(=O)(=O)C1=CC=CC(=C1)C(F)(F)F)C(F)(F)F
InChIKey
InChIKey=IDYYVEOAUAHTCM-UHFFFAOYSA-N
Formula
C21H22F7N3O3S
Mass
529.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Trifluoromethylbenzenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Trifluoromethylbenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Trifluoromethylbenzenes
Alternative Parents
Benzenesulfonyl compounds Pyrazole-5-carboxamides 2-heteroaryl carboxamides Cyclohexyl halides Sulfones Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Benzenesulfonyl group - 2-heteroaryl carboxamide - Pyrazole-5-carboxamide - Cyclohexyl halide - Azole - Pyrazole - Sulfone - Sulfonyl - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Alkyl fluoride - Organic oxygen compound - Alkyl halide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
External Descriptors
Not available