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5-fluoro-N-(2-hydroxypropyl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide

HCID 58713150
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Basic information

Standard SMILES
CCCN(CC(C)O)S(=O)(=O)c1sc2ccc(F)cc2c1C
InChIKey
BBGWPCQSHXNFLR-UHFFFAOYSA-N
Molecular formula
C15H20FNO3S2
Average molar mass
345.5 g/mol

Names & identifiers

Preferred name
5-fluoro-N-(2-hydroxypropyl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide
IUPAC
5-fluoro-N-(2-hydroxypropyl)-3-methyl-N-propyl-1-benzothiophene-2-sulfonamide

Names & synonyms

SCHEMBL13508348

Database identifiers

PubChem CID
58713150

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
94.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
22
Formal charge
0
Complexity
468

Related reactions

1 records
New reaction record
HRID 2151099 reaction equation
HRID 2151099As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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