(E)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-3-phenylprop-2-en-1-one

C18H16FNO3S — CID 73168133

IUPAC(E)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C18H16FNO3S/c19-15-7-9-16(10-8-15)24(22,23)17-12-20(13-17)18(21)11-6-14-4-2-1-3-5-14/h1-11,17H,12-13H2/b11-6+
InChIKeyZJTJVYYPLOUKIR-IZZDOVSWSA-N
MW345.40 g/mol
LogP2.52
Rot. Bonds4

About (E)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-3-phenylprop-2-en-1-one

(E)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-3-phenylprop-2-en-1-one (PubChem CID 73168133) has the molecular formula C18H16FNO3S and a molecular weight of 345.40 g/mol. Its IUPAC name is (E)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-3-phenylprop-2-en-1-one
PubChem CID73168133
Molecular FormulaC18H16FNO3S
Molecular Weight345.40 g/mol
Exact Mass345.08
IUPAC Name(E)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C18H16FNO3S/c19-15-7-9-16(10-8-15)24(22,23)17-12-20(13-17)18(21)11-6-14-4-2-1-3-5-14/h1-11,17H,12-13H2/b11-6+
InChIKeyZJTJVYYPLOUKIR-IZZDOVSWSA-N
XLogP2.52
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 90593119
2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 90592908
1-(3-aminoazetidin-1-yl)-3-phenylprop-2-en-1-one
CID 77061668
1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 71809175
(E)-3-(4-chlorophenyl)-1-[3-(4-methoxyphenyl)sulfonylazetidin-1-yl]prop-2-en-1-one
CID 90593471
(E)-1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 108567719
2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 90592926
(E)-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 71808788
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
CID 78989359
N-[2-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]-3-methylbenzenesulfonamide
CID 90592982
2-cyclohexyl-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 90593100
(E)-1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-(4-fluorophenyl)prop-2-en-1-one
CID 26867573

Frequently Asked Questions

What is the IUPAC name of (E)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-3-phenylprop-2-en-1-one (CID 73168133) is (E)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-3-phenylprop-2-en-1-one is O=C(/C=C/c1ccccc1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of (E)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-3-phenylprop-2-en-1-one?
The InChIKey is ZJTJVYYPLOUKIR-IZZDOVSWSA-N. The full InChI is InChI=1S/C18H16FNO3S/c19-15-7-9-16(10-8-15)24(22,23)17-12-20(13-17)18(21)11-6-14-4-2-1-3-5-14/h1-11,17H,12-13H2/b11-6+.
What are the key properties of (E)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-3-phenylprop-2-en-1-one?
(E)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-3-phenylprop-2-en-1-one has a molecular weight of 345.40 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-3-phenylprop-2-en-1-one is sourced from PubChem (CID 73168133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).