Compound Identification
SMILES
NC1=CC=C(C=C1)S(=O)(=O)C1=CC(Br)=NC(=C1)C#N
InChIKey
InChIKey=KRWWTMQJRVOKSA-UHFFFAOYSA-N
Formula
C12H8BrN3O2S
Mass
338.18
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzenesulfonyl compounds
-
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
Aniline and substituted anilines 2-halopyridines Aryl bromides Sulfones Heteroaromatic compounds Nitriles Azacyclic compounds Primary amines Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonyl group - Aniline or substituted anilines - 2-halopyridine - Aryl bromide - Aryl halide - Pyridine - Heteroaromatic compound - Sulfonyl - Sulfone - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic 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