2-(4-chlorophenyl)-1-(3-cyclohexylsulfonylazetidin-1-yl)ethanone

C17H22ClNO3S — CID 90593744

IUPAC2-(4-chlorophenyl)-1-(3-cyclohexylsulfonylazetidin-1-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CC(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C17H22ClNO3S/c18-14-8-6-13(7-9-14)10-17(20)19-11-16(12-19)23(21,22)15-4-2-1-3-5-15/h6-9,15-16H,1-5,10-12H2
InChIKeyYIQXYZWFHVTZOE-UHFFFAOYSA-N
MW355.89 g/mol
LogP2.84
Rot. Bonds4

About 2-(4-chlorophenyl)-1-(3-cyclohexylsulfonylazetidin-1-yl)ethanone

2-(4-chlorophenyl)-1-(3-cyclohexylsulfonylazetidin-1-yl)ethanone (PubChem CID 90593744) has the molecular formula C17H22ClNO3S and a molecular weight of 355.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(3-cyclohexylsulfonylazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(3-cyclohexylsulfonylazetidin-1-yl)ethanone
PubChem CID90593744
Molecular FormulaC17H22ClNO3S
Molecular Weight355.89 g/mol
Exact Mass355.10
IUPAC Name2-(4-chlorophenyl)-1-(3-cyclohexylsulfonylazetidin-1-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CC(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C17H22ClNO3S/c18-14-8-6-13(7-9-14)10-17(20)19-11-16(12-19)23(21,22)15-4-2-1-3-5-15/h6-9,15-16H,1-5,10-12H2
InChIKeyYIQXYZWFHVTZOE-UHFFFAOYSA-N
XLogP2.84
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.89
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclohexylsulfonylazetidin-1-yl)-2-(3-methylphenyl)ethanone
CID 90593727
2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 90592926
3-chloro-N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide
CID 90593801
3-chloro-N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 71809313
1-(3-cyclohexylsulfonylazetidin-1-yl)-3-(2-fluorophenyl)propan-1-one
CID 90593824
2-(4-chlorophenyl)-1-[4-(methylsulfonylmethyl)piperidin-1-yl]ethanone
CID 110736048
2-(4-chlorophenyl)-1-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]ethanone
CID 99928537
1-(3-cyclohexylsulfonylazetidin-1-yl)-4-phenylbutane-1,4-dione
CID 90593882
1-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-2-cyclopentylsulfanylethanone
CID 71809508
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-chlorophenyl)ethanone;hydrochloride
CID 119934564
1-(3-aminopyrrolidin-1-yl)-2-(4-chlorophenyl)ethanone;hydrochloride
CID 119483085
benzyl N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]carbamate
CID 90593963

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(3-cyclohexylsulfonylazetidin-1-yl)ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-(3-cyclohexylsulfonylazetidin-1-yl)ethanone (CID 90593744) is 2-(4-chlorophenyl)-1-(3-cyclohexylsulfonylazetidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(3-cyclohexylsulfonylazetidin-1-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-(3-cyclohexylsulfonylazetidin-1-yl)ethanone is O=C(Cc1ccc(Cl)cc1)N1CC(S(=O)(=O)C2CCCCC2)C1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(3-cyclohexylsulfonylazetidin-1-yl)ethanone?
The InChIKey is YIQXYZWFHVTZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO3S/c18-14-8-6-13(7-9-14)10-17(20)19-11-16(12-19)23(21,22)15-4-2-1-3-5-15/h6-9,15-16H,1-5,10-12H2.
What are the key properties of 2-(4-chlorophenyl)-1-(3-cyclohexylsulfonylazetidin-1-yl)ethanone?
2-(4-chlorophenyl)-1-(3-cyclohexylsulfonylazetidin-1-yl)ethanone has a molecular weight of 355.89 g/mol, XLogP of 2.84, 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-cyclohexylsulfonylazetidin-1-yl)ethanone is sourced from PubChem (CID 90593744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).