[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(1,4-dioxan-2-yl)methanone

C15H18F2N2O5S — CID 55647596

IUPAC[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(1,4-dioxan-2-yl)methanone
SMILESO=C(C1COCCO1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C15H18F2N2O5S/c16-11-2-1-3-12(17)14(11)25(21,22)19-6-4-18(5-7-19)15(20)13-10-23-8-9-24-13/h1-3,13H,4-10H2
InChIKeyBIEXAUYMAVEDKW-UHFFFAOYSA-N
MW376.38 g/mol
LogP0.21
Rot. Bonds3

About [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(1,4-dioxan-2-yl)methanone

[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(1,4-dioxan-2-yl)methanone (PubChem CID 55647596) has the molecular formula C15H18F2N2O5S and a molecular weight of 376.38 g/mol. Its IUPAC name is [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(1,4-dioxan-2-yl)methanone.

Molecular Properties

Compound Name[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(1,4-dioxan-2-yl)methanone
PubChem CID55647596
Molecular FormulaC15H18F2N2O5S
Molecular Weight376.38 g/mol
Exact Mass376.09
IUPAC Name[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(1,4-dioxan-2-yl)methanone
SMILESO=C(C1COCCO1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C15H18F2N2O5S/c16-11-2-1-3-12(17)14(11)25(21,22)19-6-4-18(5-7-19)15(20)13-10-23-8-9-24-13/h1-3,13H,4-10H2
InChIKeyBIEXAUYMAVEDKW-UHFFFAOYSA-N
XLogP0.21
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 9370296
(3R)-3-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]-3,4-dihydroisochromen-1-one
CID 26539460
(1R,5R)-3-[4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbonyl]bicyclo[3.3.1]nonan-9-one
CID 98398756
1-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]prop-2-yn-1-one
CID 154704989
[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(1,4-dioxan-2-yl)methanone
CID 56798652
1,4-dioxan-2-yl-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]methanone
CID 56816043
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-[1-(furan-2-carbonyl)piperidin-2-yl]methanone
CID 55974120
[4-(4-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 51169379
2-[cyclopentyl(methyl)amino]-1-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 112804371
1-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethanone
CID 8540195
1-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 9429043
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-thiophen-3-ylmethanone
CID 17485336

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(1,4-dioxan-2-yl)methanone?
The IUPAC name of [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(1,4-dioxan-2-yl)methanone (CID 55647596) is [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(1,4-dioxan-2-yl)methanone.
What is the SMILES notation for [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(1,4-dioxan-2-yl)methanone?
The canonical SMILES for [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(1,4-dioxan-2-yl)methanone is O=C(C1COCCO1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1.
What is the InChIKey of [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(1,4-dioxan-2-yl)methanone?
The InChIKey is BIEXAUYMAVEDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O5S/c16-11-2-1-3-12(17)14(11)25(21,22)19-6-4-18(5-7-19)15(20)13-10-23-8-9-24-13/h1-3,13H,4-10H2.
What are the key properties of [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(1,4-dioxan-2-yl)methanone?
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(1,4-dioxan-2-yl)methanone has a molecular weight of 376.38 g/mol, XLogP of 0.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(1,4-dioxan-2-yl)methanone is sourced from PubChem (CID 55647596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).