Compound Identification
SMILES
CC1=CC2=C(C=CC(Br)=C2)N1S(=O)(=O)C(=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=JGCWPWWELJLWJX-UHFFFAOYSA-N
Formula
C16H11BrClNO3S
Mass
412.68
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
Thiobenzoic acids and derivatives Indoles Benzoyl derivatives Chlorobenzenes Acylsulfonic acids and derivatives Aryl chlorides Aryl bromides Substituted pyrroles Sulfonyls Heteroaromatic compounds Carboxylic acids and derivatives Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Indole - Indole or derivatives - Thiobenzoic acid or derivatives - Benzoyl - Chlorobenzene - Halobenzene - Acylsulfonic acid or derivatives - Aryl chloride - Substituted pyrrole - Aryl halide - Aryl bromide - Heteroaromatic compound - Sulfonyl - Organic sulfonic acid or derivatives - Pyrrole - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organohalogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - Organobromide - Organochloride - Organonitrogen 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