Compound Identification
SMILES
ClC1=CC=C(C=C1)C(=O)NCC1=CC=C(S1)S(=O)(=O)N1C[C@H]2C[C@@H]1CN2CC1=CC=CC=C1
InChIKey
InChIKey=HVBINEUHTFQPMA-NHCUHLMSSA-N
Formula
C24H24ClN3O3S2
Mass
502.04
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 Benzoyl derivatives Benzylamines Phenylmethylamines Chlorobenzenes 2,5-disubstituted thiophenes N-alkylpiperazines Aralkylamines Organosulfonamides Aryl chlorides N-alkylpyrrolidines Heteroaromatic compounds Sulfonyls Secondary carboxylic acid amides Trialkylamines Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Benzylamine - Phenylmethylamine - Chlorobenzene - Halobenzene - N-alkylpiperazine - 2,5-disubstituted thiophene - Aralkylamine - 1,4-diazinane - N-alkylpyrrolidine - Aryl chloride - Organosulfonic acid amide - Aryl halide - Piperazine - Heteroaromatic compound - Thiophene - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Secondary carboxylic acid amide - Tertiary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Amine - Organohalogen compound - Organochloride - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur 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