Compound Identification
SMILES
NC1=NC=CC(CN2CCC(CC2)C(=O)N2CCN(CC2)S(=O)(=O)C2=CC(NC(=O)C3=CC=C(Cl)C=C3)=CS2)=C1
InChIKey
InChIKey=KNVSHTJQMGRJTG-UHFFFAOYSA-N
Formula
C27H31ClN6O4S2
Mass
603.15
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 Piperidinecarboxamides Benzoyl derivatives Aralkylamines Aminopyridines and derivatives Chlorobenzenes Piperazines Organosulfonamides Aryl chlorides Imidolactams Tertiary carboxylic acid amides Sulfonyls Thiophenes Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Primary amines Organochlorides Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Piperidinecarboxamide - Benzoyl - Aminopyridine - Chlorobenzene - Aralkylamine - Halobenzene - Aryl chloride - Aryl halide - 1,4-diazinane - Imidolactam - Piperazine - Piperidine - Pyridine - Organosulfonic acid amide - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Carboxamide group - Tertiary aliphatic amine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organooxygen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organosulfur compound - Primary amine - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteromonocyclic 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