Compound Identification
SMILES
CC(C)S(=O)(=O)N1CCC(CNC(=O)C2=C(Cl)C=C(F)C=C2)(CC2CC2)CC1
InChIKey
InChIKey=VEDHJHHCIYUPLC-UHFFFAOYSA-N
Formula
C20H28ClFN2O3S
Mass
430.96
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
2-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Piperidines Organosulfonamides Organic sulfonamides Vinylogous halides Sulfonyls Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Organochlorides Organofluorides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl halide - Organosulfonic acid amide - Organic sulfonic acid amide - Aryl chloride - Piperidine - Aryl fluoride - Vinylogous halide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organofluoride - Organochloride - Organohalogen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - 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