Compound Identification
SMILES
CO[C@@H](NS(=O)(=O)c1ccc(C)c(c1)C(F)(F)F)c1cc(Cl)cnc1C(=O)c1ccnc(N)c1
InChIKey
InChIKey=CNNYTQXJIVZQJZ-HXUWFJFHSA-N
Formula
C21H18ClF3N4O4S
Mass
514.9
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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 Nicotinamides Benzenesulfonyl compounds Aryl ketones Aminopyridines and derivatives Organosulfonamides Aryl chlorides Imidolactams Aminosulfonyl compounds Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Primary amines Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
P-toluenesulfonamide - Benzenesulfonamide - Trifluoromethylbenzene - Nicotinamide - Benzenesulfonyl group - Pyridine carboxylic acid or derivatives - Aryl ketone - Aminopyridine - Aryl chloride - Aryl halide - Pyridine - Organosulfonic acid amide - Imidolactam - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Aminosulfonyl compound - Ketone - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic oxide - Organosulfur compound - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Primary amine - Hydrocarbon derivative - Amine - Aromatic heteromonocyclic 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