Compound Identification
SMILES
CC1=C2C=CC(=CC2=C(Br)C=C1O)S(=O)(=O)NC1=C(O)C=CC=N1
InChIKey
InChIKey=OVAIBKSAWGBNEO-UHFFFAOYSA-N
Formula
C16H13BrN2O4S
Mass
409.25
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 Naphthols and derivatives M-bromophenols 1-hydroxy-2-unsubstituted benzenoids Hydroxypyridines Organosulfonamides Aryl bromides Imidolactams Aminosulfonyl compounds Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organic oxides Organobromides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-naphthalene sulfonamide - Naphthalene sulfonamide - 2-naphthalene sulfonic acid or derivatives - 2-naphthol - 3-halophenol - 3-bromophenol - 1-hydroxy-2-unsubstituted benzenoid - Hydroxypyridine - Phenol - Pyridine - Organosulfonic acid amide - Aryl bromide - Aryl halide - Imidolactam - Aminosulfonyl compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - 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