1-(3-cyclohexylsulfonylazetidin-1-yl)-3-(2-fluorophenyl)propan-1-one

C18H24FNO3S — CID 90593824

IUPAC1-(3-cyclohexylsulfonylazetidin-1-yl)-3-(2-fluorophenyl)propan-1-one
SMILESO=C(CCc1ccccc1F)N1CC(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C18H24FNO3S/c19-17-9-5-4-6-14(17)10-11-18(21)20-12-16(13-20)24(22,23)15-7-2-1-3-8-15/h4-6,9,15-16H,1-3,7-8,10-13H2
InChIKeyOQTAISUICZFYEF-UHFFFAOYSA-N
MW353.46 g/mol
LogP2.72
Rot. Bonds5

About 1-(3-cyclohexylsulfonylazetidin-1-yl)-3-(2-fluorophenyl)propan-1-one

1-(3-cyclohexylsulfonylazetidin-1-yl)-3-(2-fluorophenyl)propan-1-one (PubChem CID 90593824) has the molecular formula C18H24FNO3S and a molecular weight of 353.46 g/mol. Its IUPAC name is 1-(3-cyclohexylsulfonylazetidin-1-yl)-3-(2-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name1-(3-cyclohexylsulfonylazetidin-1-yl)-3-(2-fluorophenyl)propan-1-one
PubChem CID90593824
Molecular FormulaC18H24FNO3S
Molecular Weight353.46 g/mol
Exact Mass353.15
IUPAC Name1-(3-cyclohexylsulfonylazetidin-1-yl)-3-(2-fluorophenyl)propan-1-one
SMILESO=C(CCc1ccccc1F)N1CC(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C18H24FNO3S/c19-17-9-5-4-6-14(17)10-11-18(21)20-12-16(13-20)24(22,23)15-7-2-1-3-8-15/h4-6,9,15-16H,1-3,7-8,10-13H2
InChIKeyOQTAISUICZFYEF-UHFFFAOYSA-N
XLogP2.72
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenyl)-1-[3-(2-methylpropylsulfonyl)piperidin-1-yl]propan-1-one
CID 126852221
1-(3-cyclohexylsulfonylazetidin-1-yl)-4-phenylbutane-1,4-dione
CID 90593882
1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 71806014
3-(2-fluorophenyl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 94133767
1-[4-(azepan-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 110667113
3-(2-fluorophenyl)-1-[4-(3-methylsulfonylpropanoyl)piperazin-1-yl]propan-1-one
CID 110611427
2-(4-chlorophenyl)-1-(3-cyclohexylsulfonylazetidin-1-yl)ethanone
CID 90593744
1-(3-cyclohexylsulfonylazetidin-1-yl)-3-(3-methylthiophen-2-yl)propan-1-one
CID 90593830
1-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 55802493
3-(2-bromophenyl)-1-(3-ethylsulfonylazetidin-1-yl)propan-1-one
CID 121164365
N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]cyclopentanecarboxamide
CID 110822698
benzyl N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]carbamate
CID 90593963

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexylsulfonylazetidin-1-yl)-3-(2-fluorophenyl)propan-1-one?
The IUPAC name of 1-(3-cyclohexylsulfonylazetidin-1-yl)-3-(2-fluorophenyl)propan-1-one (CID 90593824) is 1-(3-cyclohexylsulfonylazetidin-1-yl)-3-(2-fluorophenyl)propan-1-one.
What is the SMILES notation for 1-(3-cyclohexylsulfonylazetidin-1-yl)-3-(2-fluorophenyl)propan-1-one?
The canonical SMILES for 1-(3-cyclohexylsulfonylazetidin-1-yl)-3-(2-fluorophenyl)propan-1-one is O=C(CCc1ccccc1F)N1CC(S(=O)(=O)C2CCCCC2)C1.
What is the InChIKey of 1-(3-cyclohexylsulfonylazetidin-1-yl)-3-(2-fluorophenyl)propan-1-one?
The InChIKey is OQTAISUICZFYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO3S/c19-17-9-5-4-6-14(17)10-11-18(21)20-12-16(13-20)24(22,23)15-7-2-1-3-8-15/h4-6,9,15-16H,1-3,7-8,10-13H2.
What are the key properties of 1-(3-cyclohexylsulfonylazetidin-1-yl)-3-(2-fluorophenyl)propan-1-one?
1-(3-cyclohexylsulfonylazetidin-1-yl)-3-(2-fluorophenyl)propan-1-one has a molecular weight of 353.46 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylsulfonylazetidin-1-yl)-3-(2-fluorophenyl)propan-1-one is sourced from PubChem (CID 90593824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).