Compound Identification
SMILES
CCCCC1=C(N=C(NC(=O)C2=CC=CC=C2F)S1)C1=CC2=C(C=C1)N(CC2)S(C)(=O)=O
InChIKey
InChIKey=CFQCSPIQOJRACI-UHFFFAOYSA-N
Formula
C23H24FN3O3S2
Mass
473.58
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
2-halobenzoic acids and derivatives
Alternative Parents
Benzamides Indoles and derivatives 2,4,5-trisubstituted thiazoles Benzoyl derivatives Fluorobenzenes Organosulfonamides Aryl fluorides Organic sulfonamides Vinylogous halides Sulfonyls Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - Indole or derivatives - Benzamide - 2,4,5-trisubstituted 1,3-thiazole - Benzoyl - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Organic sulfonic acid amide - Organosulfonic acid amide - Azole - Heteroaromatic compound - Sulfonyl - Organosulfonic acid or derivatives - Thiazole - Organic sulfonic acid or derivatives - Vinylogous halide - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic 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