(2-chloro-6-fluorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone

C16H19ClFNO3S — CID 71809300

IUPAC(2-chloro-6-fluorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone
SMILESO=C(c1c(F)cccc1Cl)N1CC(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C16H19ClFNO3S/c17-13-7-4-8-14(18)15(13)16(20)19-9-12(10-19)23(21,22)11-5-2-1-3-6-11/h4,7-8,11-12H,1-3,5-6,9-10H2
InChIKeyZVXLYQFOHMOBMZ-UHFFFAOYSA-N
MW359.85 g/mol
LogP3.05
Rot. Bonds3

About (2-chloro-6-fluorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone

(2-chloro-6-fluorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone (PubChem CID 71809300) has the molecular formula C16H19ClFNO3S and a molecular weight of 359.85 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone
PubChem CID71809300
Molecular FormulaC16H19ClFNO3S
Molecular Weight359.85 g/mol
Exact Mass359.08
IUPAC Name(2-chloro-6-fluorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone
SMILESO=C(c1c(F)cccc1Cl)N1CC(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C16H19ClFNO3S/c17-13-7-4-8-14(18)15(13)16(20)19-9-12(10-19)23(21,22)11-5-2-1-3-6-11/h4,7-8,11-12H,1-3,5-6,9-10H2
InChIKeyZVXLYQFOHMOBMZ-UHFFFAOYSA-N
XLogP3.05
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.85
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone (CID 71809300) is (2-chloro-6-fluorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone is O=C(c1c(F)cccc1Cl)N1CC(S(=O)(=O)C2CCCCC2)C1.
What is the InChIKey of (2-chloro-6-fluorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone?
The InChIKey is ZVXLYQFOHMOBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFNO3S/c17-13-7-4-8-14(18)15(13)16(20)19-9-12(10-19)23(21,22)11-5-2-1-3-6-11/h4,7-8,11-12H,1-3,5-6,9-10H2.
What are the key properties of (2-chloro-6-fluorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone?
(2-chloro-6-fluorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone has a molecular weight of 359.85 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone is sourced from PubChem (CID 71809300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).