Compound Identification
SMILES
CS(=O)(=O)OCC1=CC(C(=O)N2CCNCC2)=C(F)C=C1
InChIKey
InChIKey=CRTYZZDVSIQRKI-UHFFFAOYSA-N
Formula
C13H17FN2O4S
Mass
316.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
2-halobenzoic acids and derivatives
Alternative Parents
Benzamides Benzoyl derivatives Fluorobenzenes Aryl fluorides Organosulfonic acid esters Piperazines Sulfonic acid esters Methanesulfonates Tertiary carboxylic acid amides Vinylogous halides Sulfonyls Tertiary amines Amino acids and derivatives Dialkylamines Azacyclic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - Benzoyl - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Piperazine - 1,4-diazinane - Sulfonic acid ester - Organosulfonic acid ester - Methanesulfonate - Vinylogous halide - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary amine - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Secondary aliphatic amine - Secondary amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organofluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available