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N-(6-(4-Fluorophenyl)-1,2,3,4-tetrahydroquinolin-3-yl)benzene sulfonamide

HCID 59778193
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
O=S(=O)(NC1CNc2ccc(-c3ccc(F)cc3)cc2C1)c1ccccc1
InChIKey
AKTVAJOLFYTBPX-UHFFFAOYSA-N
Molecular formula
C21H19FN2O2S
Average molar mass
382.5 g/mol

Names & identifiers

Preferred name
N-(6-(4-Fluorophenyl)-1,2,3,4-tetrahydroquinolin-3-yl)benzene sulfonamide
IUPAC
N-[6-(4-fluorophenyl)-1,2,3,4-tetrahydroquinolin-3-yl]benzenesulfonamide

Names & synonyms

SCHEMBL648872AKTVAJOLFYTBPX-UHFFFAOYSA-NN-(6-(4-Fluorophenyl)-1,2,3,4-tetrahydroquinolin-3-yl)benzene sulfonamide

Database identifiers

PubChem CID
59778193

Properties

Computed structural propertiesFilling in

XLogP
4.4
Topological polar surface area
66.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
27
Formal charge
0
Complexity
579

Related reactions

6 records
New reaction record
HRID 167300 reaction equation
HRID 167300As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 949126 reaction equation
HRID 949126As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1363095 reaction equation
HRID 1363095As productuspto-grants-2011_02
HRID 1363096 reaction equation
HRID 1363096As reactantuspto-grants-2011_02
HRID 1643877 reaction equation
HRID 1643877As productuspto-grants-2012_02
HRID 1643878 reaction equation
HRID 1643878As reactantuspto-grants-2012_02

Compound notes

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