Compound Identification
SMILES
CN1C=NC(=C1)C1=CC(F)=C(C=C1)N1CCC(N(OC=O)S(=O)(=O)C2=CC3=C(C=C2)C=C(Cl)C=C3)C1=O
InChIKey
InChIKey=LEDXCYXQUOZUOA-UHFFFAOYSA-N
Formula
C25H20ClFN4O5S
Mass
542.97
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
2-naphthalene sulfonic acids and derivatives
Alternative Parents
2-naphthalene sulfonamides Phenylpyrrolidines Phenylimidazoles Chloronaphthalenes Alpha amino acids and derivatives Fluorobenzenes Pyrrolidine-2-ones Aryl chlorides N-substituted imidazoles Aryl fluorides Tertiary carboxylic acid amides Pyrroles Organosulfonic acids and derivatives Aminosulfonyl compounds Heteroaromatic compounds Lactams Monocarboxylic acids and derivatives Azacyclic compounds Organofluorides Organonitrogen compounds Organic oxides Organochlorides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthalene sulfonamide - Naphthalene sulfonamide - 2-naphthalene sulfonic acid or derivatives - Chloronaphthalene - 5-phenylimidazole - 4-phenylimidazole - 1-phenylpyrrolidine - Alpha-amino acid or derivatives - Fluorobenzene - Halobenzene - N-substituted imidazole - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Aryl chloride - Pyrrolidone - 2-pyrrolidone - Organic sulfonic acid or derivatives - Pyrrolidine - Pyrrole - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Azole - Aminosulfonyl compound - Imidazole - Heteroaromatic compound - Carboxamide group - Lactam - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-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 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
External Descriptors
Not available