Compound Identification
SMILES
CCCCCS(=O)(=O)CC(=O)NC1=CC2=C(C=C1)N=C(C)N2C(=O)C1=C(Cl)C=C(Cl)C=C1
InChIKey
InChIKey=VGDMMDOCGVIHCO-UHFFFAOYSA-N
Formula
C22H23Cl2N3O4S
Mass
496.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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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
2-halobenzoic acids and derivatives Benzimidazoles Benzoyl derivatives N-arylamides Dichlorobenzenes Carbonylimidazoles N-acylimidazoles Aryl chlorides Vinylogous halides Sulfones Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzimidazole - 1,3-dichlorobenzene - N-arylamide - Benzoyl - Halobenzene - N-acylimidazole - Chlorobenzene - Imidazole-1-carbonyl group - Aryl halide - Aryl chloride - N-substituted imidazole - Sulfonyl - Sulfone - Azole - Vinylogous halide - Imidazole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organohalogen 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