1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone

C11H12FNO3S — CID 71809175

IUPAC1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
SMILESCC(=O)N1CC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C11H12FNO3S/c1-8(14)13-6-11(7-13)17(15,16)10-4-2-9(12)3-5-10/h2-5,11H,6-7H2,1H3
InChIKeyMGJJWBDWGMRNPP-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.83
Rot. Bonds2

About 1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone

1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone (PubChem CID 71809175) has the molecular formula C11H12FNO3S and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
PubChem CID71809175
Molecular FormulaC11H12FNO3S
Molecular Weight257.29 g/mol
Exact Mass257.05
IUPAC Name1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
SMILESCC(=O)N1CC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C11H12FNO3S/c1-8(14)13-6-11(7-13)17(15,16)10-4-2-9(12)3-5-10/h2-5,11H,6-7H2,1H3
InChIKeyMGJJWBDWGMRNPP-UHFFFAOYSA-N
XLogP0.83
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 90592908
2-ethyl-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]butan-1-one
CID 90593118
2,2,3,3,4,4,4-heptafluoro-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]butan-1-one
CID 90593088
1-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]propan-1-one
CID 57396619
[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(furan-3-yl)methanone
CID 71809262
2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 90592926
2-cyclohexyl-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 90593100
N-[4-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]sulfonylphenyl]acetamide
CID 90593215
[(1R)-cyclohex-3-en-1-yl]-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone
CID 97417335
(E)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-3-phenylprop-2-en-1-one
CID 73168133
2-(4-ethoxyphenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 90592934
3-(4-fluorophenyl)sulfonyl-N-(2-methoxyphenyl)azetidine-1-carboxamide
CID 90593173

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone?
The IUPAC name of 1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone (CID 71809175) is 1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone is CC(=O)N1CC(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone?
The InChIKey is MGJJWBDWGMRNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3S/c1-8(14)13-6-11(7-13)17(15,16)10-4-2-9(12)3-5-10/h2-5,11H,6-7H2,1H3.
What are the key properties of 1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone?
1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone has a molecular weight of 257.29 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone is sourced from PubChem (CID 71809175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).