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5-[[(4-Fluorophenyl)sulfonyl](2,3,6-trifluorophenyl)methyl]-4-methylpyridine-2-carboxamide

HCID 57736541
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
Cc1cc(C(N)=O)ncc1C(c1c(F)ccc(F)c1F)S(=O)(=O)c1ccc(F)cc1
InChIKey
HZRNEWBWBDFLIV-UHFFFAOYSA-N
Molecular formula
C20H14F4N2O3S
Average molar mass
438.4 g/mol

Names & identifiers

Preferred name
5-[[(4-Fluorophenyl)sulfonyl](2,3,6-trifluorophenyl)methyl]-4-methylpyridine-2-carboxamide
IUPAC
5-[(4-fluorophenyl)sulfonyl-(2,3,6-trifluorophenyl)methyl]-4-methylpyridine-2-carboxamide

Names & synonyms

SCHEMBL595395HZRNEWBWBDFLIV-UHFFFAOYSA-N5-[[(4-Fluorophenyl)sulfonyl](2,3,6-trifluorophenyl)methyl]-4-methylpyridine-2-carboxamide

Database identifiers

PubChem CID
57736541

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
98.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
30
Formal charge
0
Complexity
711

Related reactions

4 records
New reaction record
HRID 85869 reaction equation
HRID 85869As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 685424 reaction equation
HRID 685424As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1641703 reaction equation
HRID 1641703As productuspto-grants-2012_02
HRID 1641742 reaction equation
HRID 1641742As reactantuspto-grants-2012_02

Compound notes

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