Compound Identification
SMILES
COC1=CC=CC(=C1)C(=O)NCC1=CC=C(S1)S(=O)(=O)N1CCN(CC1)C(=O)C1=CC=C(F)C=C1
InChIKey
InChIKey=XRSHGWBCPVVHOX-UHFFFAOYSA-N
Formula
C24H24FN3O5S2
Mass
517.59
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
Benzamides Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds 2,5-disubstituted thiophenes Fluorobenzenes Alkyl aryl ethers Organosulfonamides Aryl fluorides Piperazines Heteroaromatic compounds Tertiary carboxylic acid amides Sulfonyls Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - 2,5-disubstituted thiophene - Aryl fluoride - Aryl halide - 1,4-diazinane - Piperazine - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Thiophene - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Ether - Organic nitrogen compound - Organohalogen compound - Organofluoride - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur 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