N-(2-benzylsulfonylethyl)-4-(trifluoromethyl)pyridine-3-carboxamide

C16H15F3N2O3S — CID 10406940

IUPACN-(2-benzylsulfonylethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCCS(=O)(=O)Cc1ccccc1)c1cnccc1C(F)(F)F
InChIInChI=1S/C16H15F3N2O3S/c17-16(18,19)14-6-7-20-10-13(14)15(22)21-8-9-25(23,24)11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,21,22)
InChIKeyRARHYWHHLZYCHI-UHFFFAOYSA-N
MW372.37 g/mol
LogP2.45
Rot. Bonds6

About N-(2-benzylsulfonylethyl)-4-(trifluoromethyl)pyridine-3-carboxamide

N-(2-benzylsulfonylethyl)-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 10406940) has the molecular formula C16H15F3N2O3S and a molecular weight of 372.37 g/mol. Its IUPAC name is N-(2-benzylsulfonylethyl)-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-benzylsulfonylethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID10406940
Molecular FormulaC16H15F3N2O3S
Molecular Weight372.37 g/mol
Exact Mass372.08
IUPAC NameN-(2-benzylsulfonylethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCCS(=O)(=O)Cc1ccccc1)c1cnccc1C(F)(F)F
InChIInChI=1S/C16H15F3N2O3S/c17-16(18,19)14-6-7-20-10-13(14)15(22)21-8-9-25(23,24)11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,21,22)
InChIKeyRARHYWHHLZYCHI-UHFFFAOYSA-N
XLogP2.45
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-benzyl-4-(trifluoromethyl)pyridine-3-carbohydrazide
CID 139983814
N-(2-benzylsulfonylethyl)-2-chlorobenzamide
CID 47029455
N-[(2-chlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 2726855
bis[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 151901684
(2,6-difluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707666
N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]pyridine-4-carboxamide
CID 108542424
4-(trifluoromethyl)-N-trimethylsilylpyridine-3-carboxamide
CID 170555219
3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one
CID 102709606
N-[2-(tert-butylhydrazinylidene)ethyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 139979948
N-[(2-chloro-3-pyridinyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 87746830
N-(3-benzylsulfonylpropyl)-2-methylbenzamide
CID 47055994
N-[3-[[2-(trifluoromethyl)benzoyl]amino]propyl]pyridine-3-carboxamide
CID 108926636

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylsulfonylethyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-benzylsulfonylethyl)-4-(trifluoromethyl)pyridine-3-carboxamide (CID 10406940) is N-(2-benzylsulfonylethyl)-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-benzylsulfonylethyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-benzylsulfonylethyl)-4-(trifluoromethyl)pyridine-3-carboxamide is O=C(NCCS(=O)(=O)Cc1ccccc1)c1cnccc1C(F)(F)F.
What is the InChIKey of N-(2-benzylsulfonylethyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is RARHYWHHLZYCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3S/c17-16(18,19)14-6-7-20-10-13(14)15(22)21-8-9-25(23,24)11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,21,22).
What are the key properties of N-(2-benzylsulfonylethyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
N-(2-benzylsulfonylethyl)-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 372.37 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylsulfonylethyl)-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 10406940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).