[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone

C15H19FN2O4S — CID 2458756

IUPAC[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C15H19FN2O4S/c16-12-4-1-2-6-14(12)23(20,21)18-9-7-17(8-10-18)15(19)13-5-3-11-22-13/h1-2,4,6,13H,3,5,7-11H2/t13-/m0/s1
InChIKeyLTPKSAIYCZTNBI-ZDUSSCGKSA-N
MW342.39 g/mol
LogP0.84
Rot. Bonds3

About [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone

[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone (PubChem CID 2458756) has the molecular formula C15H19FN2O4S and a molecular weight of 342.39 g/mol. Its IUPAC name is [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
PubChem CID2458756
Molecular FormulaC15H19FN2O4S
Molecular Weight342.39 g/mol
Exact Mass342.10
IUPAC Name[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C15H19FN2O4S/c16-12-4-1-2-6-14(12)23(20,21)18-9-7-17(8-10-18)15(19)13-5-3-11-22-13/h1-2,4,6,13H,3,5,7-11H2/t13-/m0/s1
InChIKeyLTPKSAIYCZTNBI-ZDUSSCGKSA-N
XLogP0.84
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The IUPAC name of [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone (CID 2458756) is [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone.
What is the SMILES notation for [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The canonical SMILES for [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone is O=C([C@@H]1CCCO1)N1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The InChIKey is LTPKSAIYCZTNBI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19FN2O4S/c16-12-4-1-2-6-14(12)23(20,21)18-9-7-17(8-10-18)15(19)13-5-3-11-22-13/h1-2,4,6,13H,3,5,7-11H2/t13-/m0/s1.
What are the key properties of [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone has a molecular weight of 342.39 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone is sourced from PubChem (CID 2458756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).