Compound Identification
SMILES
CN(C)C1N(N=C2N1S(=O)(=O)C1=CC=CC=C21)C(=O)C1=CC(Br)=CC=C1
InChIKey
InChIKey=WGTPEVSJZGBYDH-UHFFFAOYSA-N
Formula
C17H15BrN4O3S
Mass
435.3
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 Aryl bromides Imidolactams Triazolines Organosulfonic acids and derivatives Orthocarboxylic acid derivatives Ortho amides Amidrazones Amidines Azacyclic compounds Hydrocarbon derivatives Organic oxides Amines Organobromides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - 1,2-benzothiazole - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Imidolactam - Triazoline - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid amidrazone - Orthocarboxylic acid derivative - Ortho amide - Amidine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - 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