7-Oxo-4,5,6,7-tetrahydro-benzo[b]thiophene-3-sulfonic acid [2-(2,4-difluorophenyl)-2-hydroxy-ethyl]-amide

HCID 21098677

Basic information

Standard SMILES
O=C1CCCc2c(S(=O)(=O)NCC(O)c3ccc(F)cc3F)csc21
InChIKey
IJHUNISYHQIAEJ-UHFFFAOYSA-N
Molecular formula
C16H15F2NO4S2
Average molar mass
387.4 g/mol

Names & identifiers

Preferred name
7-Oxo-4,5,6,7-tetrahydro-benzo[b]thiophene-3-sulfonic acid [2-(2,4-difluorophenyl)-2-hydroxy-ethyl]-amide
IUPAC
N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-sulfonamide

Names & synonyms

SCHEMBL5348824IJHUNISYHQIAEJ-UHFFFAOYSA-N7-Oxo-4,5,6,7-tetrahydro-benzo[b]thiophene-3-sulfonic acid [2-(2,4-difluorophenyl)-2-hydroxy-ethyl]-amide7-oxo-4,5,6,7-tetrahydro-benzo[b]thiophene-3-sulfonic acid[2-(2,4-difluorophenyl)-2-hydroxy-ethyl]-amide

Database identifiers

PubChem CID
21098677

Properties

Computed structural properties

XLogP
2
Topological polar surface area
120 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
25

Related reactions

3 records

Compound notes

Loading…