Compound Identification
SMILES
NC(=O)C1=C(C=C(F)C=C1)C(F)(F)F.OS(=O)(=O)C1=CN=C(C=C1)N1CCSCC1
InChIKey
InChIKey=NGRMHZQXODOFPJ-UHFFFAOYSA-N
Formula
C17H17F4N3O4S2
Mass
467.45
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
4-halobenzoic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzamides Dialkylarylamines Benzoyl derivatives Aminopyridines and derivatives Fluorobenzenes Thiomorpholines Imidolactams Aryl fluorides Sulfonyls Organosulfonic acids Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Dialkylthioethers Hydrocarbon derivatives Organic oxides Alkyl fluorides Organooxygen compounds Organofluorides
Molecular Framework
Not available
Substituents
Trifluoromethylbenzene - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Arylsulfonic acid or derivatives - Benzamide - Benzoic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzoyl - Dialkylarylamine - Aminopyridine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Pyridine - 1,4-thiazinane - Imidolactam - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Primary carboxylic acid amide - Carboxamide group - Dialkylthioether - Thioether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organooxygen compound - Organosulfur compound - 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