Compound Identification
SMILES
NC1=C(C2=C(C=C1)C(CNC1=C(Cl)C(F)=NC(F)=N1)=CC=C2)S(O)(=O)=O
InChIKey
InChIKey=BGTLWWFZIGRXHP-UHFFFAOYSA-N
Formula
C15H11ClF2N4O3S
Mass
400.78
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
-
Subclass
Naphthalene sulfonic acids and derivatives
-
Level 5
Naphthalene sulfonates
- Level 6 1-naphthalene sulfonates
-
Level 5
Naphthalene sulfonates
-
Subclass
Naphthalene sulfonic acids and derivatives
-
Class
Naphthalenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Naphthalene sulfonic acids and derivatives
Intermediate Tree Nodes
Naphthalene sulfonates
Direct Parent
1-naphthalene sulfonates
Alternative Parents
1-naphthalene sulfonic acids and derivatives Arylsulfonic acids and derivatives 2-halopyrimidines Aminopyrimidines and derivatives Aryl chlorides Imidolactams Aryl fluorides Sulfonyls Organosulfonic acids Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonate - 1-naphthalene sulfonic acid or derivatives - Arylsulfonic acid or derivatives - Aminopyrimidine - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl fluoride - Aryl halide - Pyrimidine - Imidolactam - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azacycle - Organoheterocyclic compound - Primary amine - Organosulfur compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 1-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors
Not available