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
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
Benzamides Benzotriazoles Benzoyl derivatives 2,5-disubstituted thiophenes Chlorobenzenes Aryl chlorides Piperidines Organosulfonamides Heteroaromatic compounds Triazoles Sulfonyls Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Organochlorides Organonitrogen compounds Organooxygen compounds
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