2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone

C17H15ClFNO3S — CID 90592926

IUPAC2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H15ClFNO3S/c18-13-3-1-12(2-4-13)9-17(21)20-10-16(11-20)24(22,23)15-7-5-14(19)6-8-15/h1-8,16H,9-11H2
InChIKeyMFOPKIJXGCNHQZ-UHFFFAOYSA-N
MW367.83 g/mol
LogP2.71
Rot. Bonds4

About 2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone

2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone (PubChem CID 90592926) has the molecular formula C17H15ClFNO3S and a molecular weight of 367.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
PubChem CID90592926
Molecular FormulaC17H15ClFNO3S
Molecular Weight367.83 g/mol
Exact Mass367.04
IUPAC Name2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H15ClFNO3S/c18-13-3-1-12(2-4-13)9-17(21)20-10-16(11-20)24(22,23)15-7-5-14(19)6-8-15/h1-8,16H,9-11H2
InChIKeyMFOPKIJXGCNHQZ-UHFFFAOYSA-N
XLogP2.71
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 52.71
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-(4-ethoxyphenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 90592934
1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-3-(4-methylsulfonylphenyl)propan-1-one
CID 90594954
3-(4-chloro-3-methylphenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]propan-1-one
CID 90593024
1-(3-aminoazetidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 63753631
1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-3-phenylpropan-1-one
CID 90594832
2-(4-chlorophenyl)-1-(3-cyclohexylsulfonylazetidin-1-yl)ethanone
CID 90593744
1-[4-[2-(4-chlorophenyl)acetyl]-1,4-diazepan-1-yl]-2-(4-fluorophenyl)ethanone
CID 110359111
1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 71809253
1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 71809175
2-cyclohexyl-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 90593100
2-(4-fluorophenyl)-1-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]ethanone
CID 91814537

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone (CID 90592926) is 2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone is O=C(Cc1ccc(Cl)cc1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone?
The InChIKey is MFOPKIJXGCNHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO3S/c18-13-3-1-12(2-4-13)9-17(21)20-10-16(11-20)24(22,23)15-7-5-14(19)6-8-15/h1-8,16H,9-11H2.
What are the key properties of 2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone?
2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone has a molecular weight of 367.83 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone is sourced from PubChem (CID 90592926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).