Compound Identification
SMILES
BrC1=CC=CC(=C1)C(=O)NNC1=NS(=O)(=O)C2=CC=CC=C12
InChIKey
InChIKey=WPLRJJDVPZUUCM-UHFFFAOYSA-N
Formula
C14H10BrN3O3S
Mass
380.22
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
3-halobenzoic acids and derivatives
Alternative Parents
Benzothiazoles Benzoyl derivatives Bromobenzenes Imidolactams Aryl bromides Organosulfonic acids and derivatives Carboxylic acid hydrazides Amidrazones Azacyclic compounds Amidines Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - 1,2-benzothiazole - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Imidolactam - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid amidrazone - Carboxylic acid hydrazide - Organoheterocyclic compound - Azacycle - Amidine - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available