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5-[(2,5-Difluorophenyl)[(4-fluorophenyl)sulfonyl]methyl]-4-methylpyridine-2-carboxamide

HCID 57736491
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
Cc1cc(C(N)=O)ncc1C(c1cc(F)ccc1F)S(=O)(=O)c1ccc(F)cc1
InChIKey
RTDZHJZYMWFJAU-UHFFFAOYSA-N
Molecular formula
C20H15F3N2O3S
Average molar mass
420.4 g/mol
Monoisotopic mass
420.075548

Names & identifiers

Preferred name
5-[(2,5-Difluorophenyl)[(4-fluorophenyl)sulfonyl]methyl]-4-methylpyridine-2-carboxamide
IUPAC
5-[(2,5-difluorophenyl)-(4-fluorophenyl)sulfonylmethyl]-4-methylpyridine-2-carboxamide

Names & synonyms

SCHEMBL595503RTDZHJZYMWFJAU-UHFFFAOYSA-N5-[(2,5-Difluorophenyl)[(4-fluorophenyl)sulfonyl]methyl]-4-methylpyridine-2-carboxamide

Database identifiers

PubChem CID
57736491

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
98.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
29
Formal charge
0
Complexity
679

Related reactions

6 records
New reaction record
HRID 293497 reaction equation
HRID 293497As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1641684 reaction equation
HRID 1641684As productuspto-grants-2012_02
HRID 1641731 reaction equation
HRID 1641731As reactantuspto-grants-2012_02
HRID 1641746 reaction equation
HRID 1641746As reactantuspto-grants-2012_02
HRID 1641748 reaction equation
HRID 1641748As reactantuspto-grants-2012_02
HRID 2325740 reaction equation
HRID 2325740As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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