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

C15H18FN3O4S2 — CID 9156655

IUPAC3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
SMILESO=C(CN1CSCC1=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C15H18FN3O4S2/c16-12-2-1-3-13(8-12)25(22,23)19-6-4-17(5-7-19)14(20)9-18-11-24-10-15(18)21/h1-3,8H,4-7,9-11H2
InChIKeyDFHQBNCOIHIRHR-UHFFFAOYSA-N
MW387.46 g/mol
LogP0.19
Rot. Bonds4

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

3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one (PubChem CID 9156655) has the molecular formula C15H18FN3O4S2 and a molecular weight of 387.46 g/mol. Its IUPAC name is 3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
PubChem CID9156655
Molecular FormulaC15H18FN3O4S2
Molecular Weight387.46 g/mol
Exact Mass387.07
IUPAC Name3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
SMILESO=C(CN1CSCC1=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C15H18FN3O4S2/c16-12-2-1-3-13(8-12)25(22,23)19-6-4-17(5-7-19)14(20)9-18-11-24-10-15(18)21/h1-3,8H,4-7,9-11H2
InChIKeyDFHQBNCOIHIRHR-UHFFFAOYSA-N
XLogP0.19
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one (CID 9156655) is 3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one is O=C(CN1CSCC1=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
The InChIKey is DFHQBNCOIHIRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O4S2/c16-12-2-1-3-13(8-12)25(22,23)19-6-4-17(5-7-19)14(20)9-18-11-24-10-15(18)21/h1-3,8H,4-7,9-11H2.
What are the key properties of 3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one has a molecular weight of 387.46 g/mol, XLogP of 0.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 9156655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).