1-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenylazetidin-2-one

C20H22FN3O3S — CID 55860025

IUPAC1-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenylazetidin-2-one
SMILESO=C1CC(c2ccccc2)N1CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C20H22FN3O3S/c21-17-7-4-8-18(13-17)28(26,27)23-11-9-22(10-12-23)15-24-19(14-20(24)25)16-5-2-1-3-6-16/h1-8,13,19H,9-12,14-15H2
InChIKeyKHQPYIQICFVSPB-UHFFFAOYSA-N
MW403.48 g/mol
LogP2.06
Rot. Bonds5

About 1-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenylazetidin-2-one

1-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenylazetidin-2-one (PubChem CID 55860025) has the molecular formula C20H22FN3O3S and a molecular weight of 403.48 g/mol. Its IUPAC name is 1-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenylazetidin-2-one.

Molecular Properties

Compound Name1-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenylazetidin-2-one
PubChem CID55860025
Molecular FormulaC20H22FN3O3S
Molecular Weight403.48 g/mol
Exact Mass403.14
IUPAC Name1-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenylazetidin-2-one
SMILESO=C1CC(c2ccccc2)N1CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C20H22FN3O3S/c21-17-7-4-8-18(13-17)28(26,27)23-11-9-22(10-12-23)15-24-19(14-20(24)25)16-5-2-1-3-6-16/h1-8,13,19H,9-12,14-15H2
InChIKeyKHQPYIQICFVSPB-UHFFFAOYSA-N
XLogP2.06
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3aS,7aR)-2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7911427
3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1-phenylimidazolidine-2,4-dione
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1-(3-fluorophenyl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 55439469
(1R)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248169
2-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]isoindole-1,3-dione
CID 8966684
(3S)-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 2095768
3-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidine-2-thione
CID 18133827
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CID 27664766
(2R)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 97039313
3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanenitrile
CID 8966713
1-(3-fluorophenyl)sulfonyl-4-(naphthalen-2-ylmethyl)piperazine
CID 6734618
3-fluoro-N-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenylazetidin-2-one?
The IUPAC name of 1-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenylazetidin-2-one (CID 55860025) is 1-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenylazetidin-2-one.
What is the SMILES notation for 1-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenylazetidin-2-one?
The canonical SMILES for 1-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenylazetidin-2-one is O=C1CC(c2ccccc2)N1CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 1-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenylazetidin-2-one?
The InChIKey is KHQPYIQICFVSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3S/c21-17-7-4-8-18(13-17)28(26,27)23-11-9-22(10-12-23)15-24-19(14-20(24)25)16-5-2-1-3-6-16/h1-8,13,19H,9-12,14-15H2.
What are the key properties of 1-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenylazetidin-2-one?
1-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenylazetidin-2-one has a molecular weight of 403.48 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenylazetidin-2-one is sourced from PubChem (CID 55860025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).