Compound Identification
SMILES
CC1=C(C=CC(Br)=C1)C(=O)NS(=O)(=O)C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=XWSSZMAHEKIEQE-UHFFFAOYSA-N
Formula
C15H12BrNO5S
Mass
398.23
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
4-halobenzoic acids and derivatives
Alternative Parents
o-Toluamides Benzodioxoles Benzoyl derivatives Bromobenzenes Aryl bromides Organosulfonic acids and derivatives Aminosulfonyl compounds Oxacyclic compounds Carboxylic acids and derivatives Acetals Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzodioxole - O-toluamide - Toluamide - Benzoyl - Bromobenzene - Halobenzene - Toluene - Aryl bromide - Aryl halide - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available