Compound Identification
SMILES
COC1=CC=C(C2=CC=CC=C12)S(=O)(=O)N1CCN(CC1)C1=CC=C(F)C=C1
InChIKey
InChIKey=YDRYFTGVLPWGBX-UHFFFAOYSA-N
Formula
C21H21FN2O3S
Mass
400.47
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 Phenylpiperazines N-arylpiperazines Dialkylarylamines Anisoles Aniline and substituted anilines Fluorobenzenes Alkyl aryl ethers Organosulfonamides Aryl fluorides Sulfonyls Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-naphthalene sulfonamide - 1-naphthalene sulfonic acid or derivatives - Naphthalene sulfonamide - Phenylpiperazine - N-arylpiperazine - Anisole - Phenol ether - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Organosulfonic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary amine - Azacycle - Organoheterocyclic compound - Ether - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - 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