Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N1CC(Br)C(O)CC1C(N)=O
InChIKey
InChIKey=IGILZCCNJJEPLG-UHFFFAOYSA-N
Formula
C13H17BrN2O4S
Mass
377.25
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
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
-
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 acid amides Benzenesulfonamides Benzenesulfonyl compounds Piperidinecarboxamides Organosulfonamides Sulfonyls Bromohydrins Primary carboxylic acid amides Secondary alcohols Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N,n-disubstituted p-toluenesulfonamide - Alpha-amino acid amide - Alpha-amino acid or derivatives - Benzenesulfonamide - 2-piperidinecarboxamide - Benzenesulfonyl group - Piperidinecarboxamide - Piperidine - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Secondary alcohol - Primary carboxylic acid amide - Bromohydrin - Carboxamide group - Halohydrin - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Alkyl halide - Organonitrogen compound - Organobromide - Organohalogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl bromide - Alcohol - Aromatic heteromonocyclic 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