[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methyloxolan-2-yl)methanone

C16H20F2N2O4S — CID 16677537

IUPAC[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methyloxolan-2-yl)methanone
SMILESCC1(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CCCO1
InChIInChI=1S/C16H20F2N2O4S/c1-16(5-2-10-24-16)15(21)19-6-8-20(9-7-19)25(22,23)12-3-4-13(17)14(18)11-12/h3-4,11H,2,5-10H2,1H3
InChIKeyXVTHLVBNNRGHCE-UHFFFAOYSA-N
MW374.41 g/mol
LogP1.37
Rot. Bonds3

About [4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methyloxolan-2-yl)methanone

[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methyloxolan-2-yl)methanone (PubChem CID 16677537) has the molecular formula C16H20F2N2O4S and a molecular weight of 374.41 g/mol. Its IUPAC name is [4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methyloxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methyloxolan-2-yl)methanone
PubChem CID16677537
Molecular FormulaC16H20F2N2O4S
Molecular Weight374.41 g/mol
Exact Mass374.11
IUPAC Name[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methyloxolan-2-yl)methanone
SMILESCC1(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CCCO1
InChIInChI=1S/C16H20F2N2O4S/c1-16(5-2-10-24-16)15(21)19-6-8-20(9-7-19)25(22,23)12-3-4-13(17)14(18)11-12/h3-4,11H,2,5-10H2,1H3
InChIKeyXVTHLVBNNRGHCE-UHFFFAOYSA-N
XLogP1.37
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methyloxolan-2-yl)methanone?
The IUPAC name of [4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methyloxolan-2-yl)methanone (CID 16677537) is [4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methyloxolan-2-yl)methanone.
What is the SMILES notation for [4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methyloxolan-2-yl)methanone?
The canonical SMILES for [4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methyloxolan-2-yl)methanone is CC1(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CCCO1.
What is the InChIKey of [4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methyloxolan-2-yl)methanone?
The InChIKey is XVTHLVBNNRGHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O4S/c1-16(5-2-10-24-16)15(21)19-6-8-20(9-7-19)25(22,23)12-3-4-13(17)14(18)11-12/h3-4,11H,2,5-10H2,1H3.
What are the key properties of [4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methyloxolan-2-yl)methanone?
[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methyloxolan-2-yl)methanone has a molecular weight of 374.41 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(2-methyloxolan-2-yl)methanone is sourced from PubChem (CID 16677537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).