Compound Identification
SMILES
FC1=C(C=C(NS(=O)(=O)C2=CC=CC3=C2C(Cl)=CC=C3)C=C1)C(F)(F)F
InChIKey
InChIKey=BSUHLTZZVPTBOM-UHFFFAOYSA-N
Formula
C17H10ClF4NO2S
Mass
403.78
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Naphthalenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Naphthalene sulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
1-naphthalene sulfonic acids and derivatives
Alternative Parents
1-naphthalene sulfonamides Chloronaphthalenes Trifluoromethylbenzenes Sulfanilides Fluorobenzenes Organosulfonamides Aryl fluorides Aryl chlorides Aminosulfonyl compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
1-naphthalene sulfonamide - Naphthalene sulfonamide - 1-naphthalene sulfonic acid or derivatives - Chloronaphthalene - Sulfanilide - Trifluoromethylbenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organosulfur compound - Alkyl fluoride - Alkyl halide - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-naphthalene sulfonic acids and derivatives. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group (or a derivative thereof) at the 1-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors
Not available