Compound Identification
SMILES
[O-]S(=O)(=O)C1=C(C=CC=C1NC1=CC=CC=C1)[N+]#N
InChIKey
InChIKey=BCCJMCCQSVOQBO-UHFFFAOYSA-N
Formula
C12H9N3O3S
Mass
275.28
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonic acids and derivatives
Alternative Parents
Benzenesulfonyl compounds Arylsulfonic acids and derivatives Aniline and substituted anilines Primary aromatic amines Sulfonyls Organosulfonic acids Organic diazonium salts Secondary amines Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Aniline or substituted anilines - Primary aromatic amine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Organic diazonium salt - Secondary amine - Organic nitrogen compound - Amine - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Organic oxide - Organic zwitterion - Organic salt - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring.
External Descriptors
Not available