[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone

C15H18F2N2O4S — CID 6471020

IUPAC[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C15H18F2N2O4S/c16-11-3-4-12(17)14(10-11)24(21,22)19-7-5-18(6-8-19)15(20)13-2-1-9-23-13/h3-4,10,13H,1-2,5-9H2
InChIKeyQXCCNUOFHZDKGE-UHFFFAOYSA-N
MW360.38 g/mol
LogP0.98
Rot. Bonds3

About [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone

[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 6471020) has the molecular formula C15H18F2N2O4S and a molecular weight of 360.38 g/mol. Its IUPAC name is [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID6471020
Molecular FormulaC15H18F2N2O4S
Molecular Weight360.38 g/mol
Exact Mass360.10
IUPAC Name[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C15H18F2N2O4S/c16-11-3-4-12(17)14(10-11)24(21,22)19-7-5-18(6-8-19)15(20)13-2-1-9-23-13/h3-4,10,13H,1-2,5-9H2
InChIKeyQXCCNUOFHZDKGE-UHFFFAOYSA-N
XLogP0.98
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone (CID 6471020) is [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is QXCCNUOFHZDKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O4S/c16-11-3-4-12(17)14(10-11)24(21,22)19-7-5-18(6-8-19)15(20)13-2-1-9-23-13/h3-4,10,13H,1-2,5-9H2.
What are the key properties of [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 360.38 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 6471020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).