1-(4-fluorophenyl)-2-[3-[(2-fluorophenyl)sulfonylmethyl]azetidin-1-yl]ethanone

C18H17F2NO3S — CID 11164426

IUPAC1-(4-fluorophenyl)-2-[3-[(2-fluorophenyl)sulfonylmethyl]azetidin-1-yl]ethanone
SMILESO=C(CN1CC(CS(=O)(=O)c2ccccc2F)C1)c1ccc(F)cc1
InChIInChI=1S/C18H17F2NO3S/c19-15-7-5-14(6-8-15)17(22)11-21-9-13(10-21)12-25(23,24)18-4-2-1-3-16(18)20/h1-8,13H,9-12H2
InChIKeyBNRFYPBZJKRMBS-UHFFFAOYSA-N
MW365.40 g/mol
LogP2.55
Rot. Bonds6

About 1-(4-fluorophenyl)-2-[3-[(2-fluorophenyl)sulfonylmethyl]azetidin-1-yl]ethanone

1-(4-fluorophenyl)-2-[3-[(2-fluorophenyl)sulfonylmethyl]azetidin-1-yl]ethanone (PubChem CID 11164426) has the molecular formula C18H17F2NO3S and a molecular weight of 365.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[3-[(2-fluorophenyl)sulfonylmethyl]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[3-[(2-fluorophenyl)sulfonylmethyl]azetidin-1-yl]ethanone
PubChem CID11164426
Molecular FormulaC18H17F2NO3S
Molecular Weight365.40 g/mol
Exact Mass365.09
IUPAC Name1-(4-fluorophenyl)-2-[3-[(2-fluorophenyl)sulfonylmethyl]azetidin-1-yl]ethanone
SMILESO=C(CN1CC(CS(=O)(=O)c2ccccc2F)C1)c1ccc(F)cc1
InChIInChI=1S/C18H17F2NO3S/c19-15-7-5-14(6-8-15)17(22)11-21-9-13(10-21)12-25(23,24)18-4-2-1-3-16(18)20/h1-8,13H,9-12H2
InChIKeyBNRFYPBZJKRMBS-UHFFFAOYSA-N
XLogP2.55
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 14677538
2-[[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-3-yl]methyl]benzenesulfonic acid
CID 87613951
1-(4-fluorophenyl)-2-pyrrolidin-1-ylethanone;hydrochloride
CID 13302047
2-[3-[7-[2-(4-fluorophenyl)-2-oxoethyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]propylamino]benzonitrile
CID 90947329
1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 106587715
1-(4-fluorophenyl)-2-piperazin-1-ylethanone
CID 16769083
2-[(3aS)-5-(2-fluorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-hydroxyphenyl)ethanone
CID 121247600
2-[(2-fluorophenyl)sulfonylmethyl]oxane
CID 64716675
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366210
1-(4-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 15997423
1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 3461738
2-(2-bromophenyl)sulfonyl-1-(4-fluorophenyl)ethanone
CID 64642384

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[3-[(2-fluorophenyl)sulfonylmethyl]azetidin-1-yl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[3-[(2-fluorophenyl)sulfonylmethyl]azetidin-1-yl]ethanone (CID 11164426) is 1-(4-fluorophenyl)-2-[3-[(2-fluorophenyl)sulfonylmethyl]azetidin-1-yl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[3-[(2-fluorophenyl)sulfonylmethyl]azetidin-1-yl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[3-[(2-fluorophenyl)sulfonylmethyl]azetidin-1-yl]ethanone is O=C(CN1CC(CS(=O)(=O)c2ccccc2F)C1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[3-[(2-fluorophenyl)sulfonylmethyl]azetidin-1-yl]ethanone?
The InChIKey is BNRFYPBZJKRMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO3S/c19-15-7-5-14(6-8-15)17(22)11-21-9-13(10-21)12-25(23,24)18-4-2-1-3-16(18)20/h1-8,13H,9-12H2.
What are the key properties of 1-(4-fluorophenyl)-2-[3-[(2-fluorophenyl)sulfonylmethyl]azetidin-1-yl]ethanone?
1-(4-fluorophenyl)-2-[3-[(2-fluorophenyl)sulfonylmethyl]azetidin-1-yl]ethanone has a molecular weight of 365.40 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[3-[(2-fluorophenyl)sulfonylmethyl]azetidin-1-yl]ethanone is sourced from PubChem (CID 11164426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).