Compound Identification
SMILES
CC1=C(C(C)=NO1)S(=O)(=O)N1C(Br)=NC2=CC3=C(OC(F)(F)O3)C=C12
InChIKey
InChIKey=ATHSLTJJTTYIOT-UHFFFAOYSA-N
Formula
C13H8BrF2N3O5S
Mass
436.18
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodioxoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodioxoles
Alternative Parents
Benzimidazoles Aryl bromides Benzenoids N-substituted imidazoles Isoxazoles Heteroaromatic compounds Sulfonyls Organosulfonic acids and derivatives Azacyclic compounds Oxacyclic compounds Organonitrogen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl fluorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Benzodioxole - Aryl bromide - Aryl halide - Benzenoid - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Isoxazole - Oxacycle - Azacycle - Organobromide - Organohalogen compound - Organooxygen compound - Organosulfur compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
External Descriptors
Not available