(4,4-difluoropiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone

C22H20F2N2O3S — CID 58211628

IUPAC(4,4-difluoropiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone
SMILESO=C(c1cccc(CS(=O)(=O)c2cccc3ccccc23)n1)N1CCC(F)(F)CC1
InChIInChI=1S/C22H20F2N2O3S/c23-22(24)11-13-26(14-12-22)21(27)19-9-4-7-17(25-19)15-30(28,29)20-10-3-6-16-5-1-2-8-18(16)20/h1-10H,11-15H2
InChIKeyMEGKNCFXWUWZOK-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.08
Rot. Bonds4

About (4,4-difluoropiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone

(4,4-difluoropiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone (PubChem CID 58211628) has the molecular formula C22H20F2N2O3S and a molecular weight of 430.48 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone
PubChem CID58211628
Molecular FormulaC22H20F2N2O3S
Molecular Weight430.48 g/mol
Exact Mass430.12
IUPAC Name(4,4-difluoropiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone
SMILESO=C(c1cccc(CS(=O)(=O)c2cccc3ccccc23)n1)N1CCC(F)(F)CC1
InChIInChI=1S/C22H20F2N2O3S/c23-22(24)11-13-26(14-12-22)21(27)19-9-4-7-17(25-19)15-30(28,29)20-10-3-6-16-5-1-2-8-18(16)20/h1-10H,11-15H2
InChIKeyMEGKNCFXWUWZOK-UHFFFAOYSA-N
XLogP4.08
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone (CID 58211628) is (4,4-difluoropiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone is O=C(c1cccc(CS(=O)(=O)c2cccc3ccccc23)n1)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone?
The InChIKey is MEGKNCFXWUWZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O3S/c23-22(24)11-13-26(14-12-22)21(27)19-9-4-7-17(25-19)15-30(28,29)20-10-3-6-16-5-1-2-8-18(16)20/h1-10H,11-15H2.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone?
(4,4-difluoropiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone has a molecular weight of 430.48 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 58211628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).