2-[1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidin-4-yl]oxyacetic acid

C12H15FN2O5S — CID 63876850

IUPAC2-[1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(S(=O)(=O)c2cncc(F)c2)CC1
InChIInChI=1S/C12H15FN2O5S/c13-9-5-11(7-14-6-9)21(18,19)15-3-1-10(2-4-15)20-8-12(16)17/h5-7,10H,1-4,8H2,(H,16,17)
InChIKeyOOQKVGKXJZEERW-UHFFFAOYSA-N
MW318.33 g/mol
LogP0.47
Rot. Bonds5

About 2-[1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidin-4-yl]oxyacetic acid

2-[1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidin-4-yl]oxyacetic acid (PubChem CID 63876850) has the molecular formula C12H15FN2O5S and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-[1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidin-4-yl]oxyacetic acid
PubChem CID63876850
Molecular FormulaC12H15FN2O5S
Molecular Weight318.33 g/mol
Exact Mass318.07
IUPAC Name2-[1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(S(=O)(=O)c2cncc(F)c2)CC1
InChIInChI=1S/C12H15FN2O5S/c13-9-5-11(7-14-6-9)21(18,19)15-3-1-10(2-4-15)20-8-12(16)17/h5-7,10H,1-4,8H2,(H,16,17)
InChIKeyOOQKVGKXJZEERW-UHFFFAOYSA-N
XLogP0.47
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidin-4-yl]oxyacetic acid (CID 63876850) is 2-[1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(S(=O)(=O)c2cncc(F)c2)CC1.
What is the InChIKey of 2-[1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is OOQKVGKXJZEERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O5S/c13-9-5-11(7-14-6-9)21(18,19)15-3-1-10(2-4-15)20-8-12(16)17/h5-7,10H,1-4,8H2,(H,16,17).
What are the key properties of 2-[1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidin-4-yl]oxyacetic acid?
2-[1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 318.33 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63876850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).