Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N1CCC[C@H]1CN1C(Br)=NC2=C1N=CN=C2N
InChIKey
InChIKey=OHKZQVYVGRCJTH-LBPRGKRZSA-N
Formula
C17H19BrN6O2S
Mass
451.34
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
6-aminopurines Benzenesulfonamides Benzenesulfonyl compounds Aminopyrimidines and derivatives Aryl bromides Organosulfonamides Imidolactams N-substituted imidazoles Heteroaromatic compounds Pyrrolidines Sulfonyls Azacyclic compounds Hydrocarbon derivatives Primary amines Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N,n-disubstituted p-toluenesulfonamide - 6-aminopurine - Benzenesulfonamide - Benzenesulfonyl group - Imidazopyrimidine - Purine - Aminopyrimidine - Aryl bromide - Aryl halide - N-substituted imidazole - Imidolactam - Organosulfonic acid amide - Pyrimidine - Azole - Heteroaromatic compound - Imidazole - Sulfonyl - Organosulfonic acid or derivatives - Pyrrolidine - Organic sulfonic acid or derivatives - Organoheterocyclic compound - Azacycle - Organobromide - Organohalogen compound - Organic oxygen compound - Amine - Organonitrogen compound - Organosulfur compound - Primary amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic 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