Compound Identification
SMILES
FC1=CC=C(C=C1)C1=NOC(=N1)C1CCCN1S(=O)(=O)C1=CC=CC2=CC=CC=C12
InChIKey
InChIKey=LMNBSTJOUUAIIC-UHFFFAOYSA-N
Formula
C22H18FN3O3S
Mass
423.46
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 Phenyloxadiazoles Fluorobenzenes Organosulfonamides Aryl fluorides Sulfonyls Pyrrolidines Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonamide - Naphthalene sulfonamide - 1-naphthalene sulfonic acid or derivatives - Phenyl-1,2,4-oxadiazole - Fluorobenzene - Halobenzene - Organosulfonic acid amide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Oxadiazole - Heteroaromatic compound - Azole - Sulfonyl - 1,2,4-oxadiazole - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrolidine - Oxacycle - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Aromatic heteropolycyclic 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