Structure Information
Structure

Compound Identification

SMILES

CS(=O)(=O)N1CCC(CC1)NC(=O)C1=C(NC(=O)C2=C(F)C=CC(F)=C2Cl)C=NN1

InChIKey

InChIKey=XHUWMMCNGHAEBI-UHFFFAOYSA-N

Formula

C17H18ClF2N5O4S

Mass

461.87

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Halobenzoic acids and derivatives

Direct Parent

3-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - 2-heteroaryl carboxamide - Pyrazole-5-carboxamide - Benzoyl - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Piperidine - Organic sulfonic acid amide - Organosulfonic acid amide - Azole - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Pyrazole - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.

External Descriptors

Not available

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