Structure Information
Structure

Compound Identification

SMILES

ClC1=CC=C(C=C1)C(=O)NCC1=CC=C(S1)S(=O)(=O)N1CCC(CC1)N1N=C2C=CC=CC2=N1

InChIKey

InChIKey=AOBUQNAJHQKBBA-UHFFFAOYSA-N

Formula

C23H22ClN5O3S2

Mass

516.03

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

4-halobenzoic acid or derivatives - Benzamide - Benzotriazole - Benzoyl - Halobenzene - 2,5-disubstituted thiophene - Chlorobenzene - Aryl chloride - Aryl halide - Piperidine - Organosulfonic acid amide - Thiophene - Sulfonyl - Triazole - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - 1,2,3-triazole - Heteroaromatic compound - Azole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organochloride - Organohalogen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen 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

Previous Back Next