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

C22H24F2N2O5S — CID 46420992

IUPAC[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone
SMILESO=C(c1ccc(OCC2CCCO2)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C22H24F2N2O5S/c23-17-5-8-21(20(24)14-17)32(28,29)26-11-9-25(10-12-26)22(27)16-3-6-18(7-4-16)31-15-19-2-1-13-30-19/h3-8,14,19H,1-2,9-13,15H2
InChIKeyBMWQVHKIVYAAOU-UHFFFAOYSA-N
MW466.51 g/mol
LogP2.67
Rot. Bonds6

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

[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone (PubChem CID 46420992) has the molecular formula C22H24F2N2O5S and a molecular weight of 466.51 g/mol. Its IUPAC name is [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone
PubChem CID46420992
Molecular FormulaC22H24F2N2O5S
Molecular Weight466.51 g/mol
Exact Mass466.14
IUPAC Name[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone
SMILESO=C(c1ccc(OCC2CCCO2)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C22H24F2N2O5S/c23-17-5-8-21(20(24)14-17)32(28,29)26-11-9-25(10-12-26)22(27)16-3-6-18(7-4-16)31-15-19-2-1-13-30-19/h3-8,14,19H,1-2,9-13,15H2
InChIKeyBMWQVHKIVYAAOU-UHFFFAOYSA-N
XLogP2.67
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 26381982
1-[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]ethanone
CID 78777666
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 9277342
1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 55607255
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 26814319
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 27676789
[4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone
CID 4858670
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone
CID 120656262
[(3R)-3-aminopyrrolidin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 124699629
[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone
CID 86908238
[4-[[1-(2,4-difluorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 53150445
(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[4-(oxolan-2-ylmethoxy)phenyl]methanone
CID 51113851

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone?
The IUPAC name of [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone (CID 46420992) is [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone.
What is the SMILES notation for [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone?
The canonical SMILES for [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone is O=C(c1ccc(OCC2CCCO2)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone?
The InChIKey is BMWQVHKIVYAAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O5S/c23-17-5-8-21(20(24)14-17)32(28,29)26-11-9-25(10-12-26)22(27)16-3-6-18(7-4-16)31-15-19-2-1-13-30-19/h3-8,14,19H,1-2,9-13,15H2.
What are the key properties of [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone?
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone has a molecular weight of 466.51 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone is sourced from PubChem (CID 46420992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).