Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NCCCNC1=C(C=C(C=C1)[N+]([O-])=O)C(F)(F)F
InChIKey
InChIKey=WZPPWHWAIJCAGY-UHFFFAOYSA-N
Formula
C17H18F3N3O4S
Mass
417.4
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
Subclass
Toluenes
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Level 5
Tosyl compounds
- Level 6 P-toluenesulfonamides
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Level 5
Tosyl compounds
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Subclass
Toluenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Tosyl compounds
Direct Parent
P-toluenesulfonamides
Alternative Parents
Trifluoromethylbenzenes Benzenesulfonamides Benzenesulfonyl compounds Nitrobenzenes Aniline and substituted anilines Phenylalkylamines Nitroaromatic compounds Secondary alkylarylamines Organosulfonamides Aminosulfonyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organic salts Organic zwitterions Hydrocarbon derivatives Organofluorides Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
P-toluenesulfonamide - Benzenesulfonamide - Trifluoromethylbenzene - Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Secondary amine - Organic zwitterion - Alkyl fluoride - Organic oxide - Organosulfur compound - Organonitrogen compound - Organofluoride - Alkyl halide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic salt - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-toluenesulfonamides. These are aromatic heterocyclic compounds containing a toluene that is p-substituted with a sulfonamide group.
External Descriptors
Not available