Compound Identification
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.NC1=NC(N)=C(N=N1)C1=C(C=CC(Cl)=C1Cl)C(F)(F)F
InChIKey
InChIKey=RVQZFYOEEUCUMB-UHFFFAOYSA-N
Formula
C17H14Cl2F3N5O3S
Mass
496.29
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzenesulfonic acids and derivatives
- Level 5 p-Methylbenzenesulfonates
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Subclass
Benzenesulfonic 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
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
p-Methylbenzenesulfonates
Alternative Parents
Trifluoromethylbenzenes Tosyl compounds 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Dichlorobenzenes Aminotriazines 1,2,4-triazines Aryl chlorides Imidolactams Sulfonyls Organosulfonic acids Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Alkyl fluorides Organofluorides Primary amines
Molecular Framework
Not available
Substituents
P-methylbenzenesulfonate - Trifluoromethylbenzene - Tosyl compound - Benzenesulfonyl group - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - 1,2-dichlorobenzene - Aminotriazine - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - 1,2,4-triazine - Imidolactam - Triazine - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Organoheterocyclic compound - Azacycle - Organosulfur compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary amine - Alkyl halide - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position.
External Descriptors
Not available