Compound Identification
SMILES
CCCS(=O)(=O)N1CCC(CNC(=O)C2=C(F)C=CC=C2Cl)(CC1)C1=NC(=CC=C1)N1CCOCC1
InChIKey
InChIKey=JECYVOSTKCVXFK-UHFFFAOYSA-N
Formula
C25H32ClFN4O4S
Mass
539.06
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
2-halobenzoic acids and derivatives
Alternative Parents
Benzamides Benzoyl derivatives Dialkylarylamines Aminopyridines and derivatives Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Piperidines Organosulfonamides Imidolactams Morpholines Organic sulfonamides Heteroaromatic compounds Sulfonyls Vinylogous halides Secondary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - Benzoyl - Dialkylarylamine - Aminopyridine - Chlorobenzene - Fluorobenzene - Halobenzene - Imidolactam - Aryl fluoride - Organosulfonic acid amide - Organic sulfonic acid amide - Aryl halide - Pyridine - Piperidine - Oxazinane - Aryl chloride - Morpholine - Heteroaromatic compound - Vinylogous halide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organonitrogen compound - Amine - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Organochloride - Organofluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available