Compound Identification
SMILES
COC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC1=NC(=CC(=N1)C(F)(F)F)C1=CC=CS1
InChIKey
InChIKey=PXTCPMHSTHJHBQ-UHFFFAOYSA-N
Formula
C18H13F3N4O5S2
Mass
486.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic nitrogen compounds
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Class
Organonitrogen compounds
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Subclass
Sulfonylureas
- Level 5 Pyrimidinyl-2-sulfonylureas
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Subclass
Sulfonylureas
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Class
Organonitrogen compounds
-
Superclass
Organic nitrogen compounds
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Sulfonylureas
Intermediate Tree Nodes
Not available
Direct Parent
Pyrimidinyl-2-sulfonylureas
Alternative Parents
Benzenesulfonamides Benzoic acid esters Benzenesulfonyl compounds Benzoyl derivatives Pyrimidines and pyrimidine derivatives Aminosulfonyl compounds Thiophenes Organosulfonic acids and derivatives Heteroaromatic compounds Methyl esters Azacyclic compounds Organofluorides Organic oxides Carbonyl compounds Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrimidinyl-2-sulfonylurea - Benzenesulfonamide - Benzoate ester - Benzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Methyl ester - Aminosulfonyl compound - Thiophene - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Alkyl halide - Organohalogen compound - Organofluoride - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl fluoride - Organosulfur compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidinyl-2-sulfonylureas. These are aromatic heterocyclic compounds containing a pyrimidine ring which is substituted with a sulfonylurea at the ring 2-position.
External Descriptors
Not available