2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]oxyethanol

C12H17FN2O4S — CID 103300338

IUPAC2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]oxyethanol
SMILESO=S(=O)(c1ncccc1F)N1CCC(OCCO)CC1
InChIInChI=1S/C12H17FN2O4S/c13-11-2-1-5-14-12(11)20(17,18)15-6-3-10(4-7-15)19-9-8-16/h1-2,5,10,16H,3-4,6-9H2
InChIKeyRJFOWQCJURYVAD-UHFFFAOYSA-N
MW304.34 g/mol
LogP0.38
Rot. Bonds5

About 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]oxyethanol

2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]oxyethanol (PubChem CID 103300338) has the molecular formula C12H17FN2O4S and a molecular weight of 304.34 g/mol. Its IUPAC name is 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]oxyethanol
PubChem CID103300338
Molecular FormulaC12H17FN2O4S
Molecular Weight304.34 g/mol
Exact Mass304.09
IUPAC Name2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]oxyethanol
SMILESO=S(=O)(c1ncccc1F)N1CCC(OCCO)CC1
InChIInChI=1S/C12H17FN2O4S/c13-11-2-1-5-14-12(11)20(17,18)15-6-3-10(4-7-15)19-9-8-16/h1-2,5,10,16H,3-4,6-9H2
InChIKeyRJFOWQCJURYVAD-UHFFFAOYSA-N
XLogP0.38
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]oxyethanol (CID 103300338) is 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]oxyethanol is O=S(=O)(c1ncccc1F)N1CCC(OCCO)CC1.
What is the InChIKey of 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]oxyethanol?
The InChIKey is RJFOWQCJURYVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O4S/c13-11-2-1-5-14-12(11)20(17,18)15-6-3-10(4-7-15)19-9-8-16/h1-2,5,10,16H,3-4,6-9H2.
What are the key properties of 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]oxyethanol?
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]oxyethanol has a molecular weight of 304.34 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]oxyethanol is sourced from PubChem (CID 103300338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).