Compound Identification
SMILES
NC1=NC2=C(C=C(C=C2)S(=O)(=O)C2=CC=C(Br)C=C2)[N+]([O-])=N1
InChIKey
InChIKey=DXWHQMRKCWOUDE-UHFFFAOYSA-N
Formula
C13H9BrN4O3S
Mass
381.2
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzenesulfonyl compounds
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonyl compounds
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonyl compounds
Alternative Parents
Bromobenzenes Aminotriazines Aryl bromides 1,2,4-triazines Sulfones Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonyl group - Aminotriazine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Triazine - 1,2,4-triazine - Sulfone - Sulfonyl - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Amine - Primary amine - Organosulfur compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group.
External Descriptors
Not available