Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N\N=C\C1=CC=CC=C1[N+]([O-])=O)CC1=C(F)C=CC=C1Cl
InChIKey
InChIKey=WBKJZVTVOHCQPM-LGJNPRDNSA-N
Formula
C23H20ClFN4O5S
Mass
518.94
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
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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 - P-toluenesulfonamides
Direct Parent
N,N-disubstituted p-toluenesulfonamides
Alternative Parents
Alpha amino acids and derivatives Benzenesulfonamides Benzenesulfonyl compounds Nitrobenzenes Nitroaromatic compounds Fluorobenzenes Chlorobenzenes Organosulfonamides Aryl fluorides Aryl chlorides Aminosulfonyl compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic zwitterions Organic salts Organic oxides Organofluorides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N,n-disubstituted p-toluenesulfonamide - Alpha-amino acid or derivatives - Benzenesulfonamide - Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - Halobenzene - Fluorobenzene - Chlorobenzene - Aryl chloride - Organosulfonic acid amide - Aryl fluoride - Aryl halide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organohalogen compound - Organosulfur compound - Organic zwitterion - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic salt - Hydrocarbon derivative - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as n,n-disubstituted p-toluenesulfonamides. These are p-toluenesulfonamide derivatives in which the sulfonamide moiety is N,N-disubstituted.
External Descriptors
Not available