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

C15H19FN2O4S — CID 17377878

IUPAC[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H19FN2O4S/c16-12-3-5-13(6-4-12)23(20,21)18-9-7-17(8-10-18)15(19)14-2-1-11-22-14/h3-6,14H,1-2,7-11H2
InChIKeyUQNLETSXZRIOSC-UHFFFAOYSA-N
MW342.39 g/mol
LogP0.84
Rot. Bonds3

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

[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 17377878) has the molecular formula C15H19FN2O4S and a molecular weight of 342.39 g/mol. Its IUPAC name is [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID17377878
Molecular FormulaC15H19FN2O4S
Molecular Weight342.39 g/mol
Exact Mass342.10
IUPAC Name[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H19FN2O4S/c16-12-3-5-13(6-4-12)23(20,21)18-9-7-17(8-10-18)15(19)14-2-1-11-22-14/h3-6,14H,1-2,7-11H2
InChIKeyUQNLETSXZRIOSC-UHFFFAOYSA-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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Related Compounds

4-[(4-Methylphenyl)sulfonyl]piperazinyl oxolan-2-yl ketone
CID 6469994
1-(Phenylsulfonyl)-4-(tetrahydro-2-furanylcarbonyl)piperazine
CID 2970319
1-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-2-carboxamide
CID 3237390
4-[(4-Chlorophenyl)sulfonyl]piperazinyl oxolan-2-yl ketone
CID 5091965
{4-[(4-Butylphenyl)sulfonyl]piperazin-1-yl}(tetrahydrofuran-2-yl)methanone
CID 6465848
[4-(4-Bromophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 6470810
Oxolan-2-yl-[4-(4-pentylphenyl)sulfonylpiperazin-1-yl]methanone
CID 3825324
4-[(2,5-Difluorophenyl)sulfonyl]piperazinyl oxolan-2-yl ketone
CID 6471020
{7-[(3-Fluorophenyl)sulfonyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl}(tetrahydro-2-furanyl)methanone
CID 53164949
4-[1-(Benzenesulfonyl)-4-fluoropyrrolidine-2-carbonyl]morpholine
CID 110876009
4-[4-Fluoro-1-(4-fluorobenzenesulfonyl)pyrrolidine-2-carbonyl]morpholine
CID 110876010
4-[4-Fluoro-1-(3-fluorobenzenesulfonyl)pyrrolidine-2-carbonyl]morpholine
CID 110876025

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone (CID 17377878) is [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is UQNLETSXZRIOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O4S/c16-12-3-5-13(6-4-12)23(20,21)18-9-7-17(8-10-18)15(19)14-2-1-11-22-14/h3-6,14H,1-2,7-11H2.
What are the key properties of [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(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-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 17377878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).