[(3S)-3-(4-fluorophenyl)sulfonylpiperidin-1-yl]-pyridin-3-ylmethanone

C17H17FN2O3S — CID 99903319

IUPAC[(3S)-3-(4-fluorophenyl)sulfonylpiperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC[C@H](S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H17FN2O3S/c18-14-5-7-15(8-6-14)24(22,23)16-4-2-10-20(12-16)17(21)13-3-1-9-19-11-13/h1,3,5-9,11,16H,2,4,10,12H2/t16-/m0/s1
InChIKeyVOOFIZGBQMAXDG-INIZCTEOSA-N
MW348.40 g/mol
LogP2.30
Rot. Bonds3

About [(3S)-3-(4-fluorophenyl)sulfonylpiperidin-1-yl]-pyridin-3-ylmethanone

[(3S)-3-(4-fluorophenyl)sulfonylpiperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 99903319) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is [(3S)-3-(4-fluorophenyl)sulfonylpiperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-(4-fluorophenyl)sulfonylpiperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID99903319
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC Name[(3S)-3-(4-fluorophenyl)sulfonylpiperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC[C@H](S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H17FN2O3S/c18-14-5-7-15(8-6-14)24(22,23)16-4-2-10-20(12-16)17(21)13-3-1-9-19-11-13/h1,3,5-9,11,16H,2,4,10,12H2/t16-/m0/s1
InChIKeyVOOFIZGBQMAXDG-INIZCTEOSA-N
XLogP2.30
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(4-fluorophenyl)sulfonylpiperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(3S)-3-(4-fluorophenyl)sulfonylpiperidin-1-yl]-pyridin-3-ylmethanone (CID 99903319) is [(3S)-3-(4-fluorophenyl)sulfonylpiperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(3S)-3-(4-fluorophenyl)sulfonylpiperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(3S)-3-(4-fluorophenyl)sulfonylpiperidin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCC[C@H](S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of [(3S)-3-(4-fluorophenyl)sulfonylpiperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is VOOFIZGBQMAXDG-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c18-14-5-7-15(8-6-14)24(22,23)16-4-2-10-20(12-16)17(21)13-3-1-9-19-11-13/h1,3,5-9,11,16H,2,4,10,12H2/t16-/m0/s1.
What are the key properties of [(3S)-3-(4-fluorophenyl)sulfonylpiperidin-1-yl]-pyridin-3-ylmethanone?
[(3S)-3-(4-fluorophenyl)sulfonylpiperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 348.40 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(4-fluorophenyl)sulfonylpiperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 99903319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).