3-[2-[4-(2-fluorophenyl)sulfonylpiperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one

C16H19FN2O4S2 — CID 21297219

IUPAC3-[2-[4-(2-fluorophenyl)sulfonylpiperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
SMILESO=C(CN1CSCC1=O)N1CCC(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C16H19FN2O4S2/c17-13-3-1-2-4-14(13)25(22,23)12-5-7-18(8-6-12)15(20)9-19-11-24-10-16(19)21/h1-4,12H,5-11H2
InChIKeyNEARHPYERPUNMW-UHFFFAOYSA-N
MW386.47 g/mol
LogP1.12
Rot. Bonds4

About 3-[2-[4-(2-fluorophenyl)sulfonylpiperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one

3-[2-[4-(2-fluorophenyl)sulfonylpiperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one (PubChem CID 21297219) has the molecular formula C16H19FN2O4S2 and a molecular weight of 386.47 g/mol. Its IUPAC name is 3-[2-[4-(2-fluorophenyl)sulfonylpiperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[2-[4-(2-fluorophenyl)sulfonylpiperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
PubChem CID21297219
Molecular FormulaC16H19FN2O4S2
Molecular Weight386.47 g/mol
Exact Mass386.08
IUPAC Name3-[2-[4-(2-fluorophenyl)sulfonylpiperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
SMILESO=C(CN1CSCC1=O)N1CCC(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C16H19FN2O4S2/c17-13-3-1-2-4-14(13)25(22,23)12-5-7-18(8-6-12)15(20)9-19-11-24-10-16(19)21/h1-4,12H,5-11H2
InChIKeyNEARHPYERPUNMW-UHFFFAOYSA-N
XLogP1.12
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2-fluorophenyl)sulfonylpiperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-[2-[4-(2-fluorophenyl)sulfonylpiperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one (CID 21297219) is 3-[2-[4-(2-fluorophenyl)sulfonylpiperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[2-[4-(2-fluorophenyl)sulfonylpiperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[2-[4-(2-fluorophenyl)sulfonylpiperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one is O=C(CN1CSCC1=O)N1CCC(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of 3-[2-[4-(2-fluorophenyl)sulfonylpiperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
The InChIKey is NEARHPYERPUNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O4S2/c17-13-3-1-2-4-14(13)25(22,23)12-5-7-18(8-6-12)15(20)9-19-11-24-10-16(19)21/h1-4,12H,5-11H2.
What are the key properties of 3-[2-[4-(2-fluorophenyl)sulfonylpiperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
3-[2-[4-(2-fluorophenyl)sulfonylpiperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one has a molecular weight of 386.47 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-fluorophenyl)sulfonylpiperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 21297219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).