(2-chlorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone

C16H20ClNO3S — CID 71809328

IUPAC(2-chlorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone
SMILESO=C(c1ccccc1Cl)N1CC(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C16H20ClNO3S/c17-15-9-5-4-8-14(15)16(19)18-10-13(11-18)22(20,21)12-6-2-1-3-7-12/h4-5,8-9,12-13H,1-3,6-7,10-11H2
InChIKeyQOMVEVYXLCJKSR-UHFFFAOYSA-N
MW341.86 g/mol
LogP2.91
Rot. Bonds3

About (2-chlorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone

(2-chlorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone (PubChem CID 71809328) has the molecular formula C16H20ClNO3S and a molecular weight of 341.86 g/mol. Its IUPAC name is (2-chlorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone
PubChem CID71809328
Molecular FormulaC16H20ClNO3S
Molecular Weight341.86 g/mol
Exact Mass341.09
IUPAC Name(2-chlorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone
SMILESO=C(c1ccccc1Cl)N1CC(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C16H20ClNO3S/c17-15-9-5-4-8-14(15)16(19)18-10-13(11-18)22(20,21)12-6-2-1-3-7-12/h4-5,8-9,12-13H,1-3,6-7,10-11H2
InChIKeyQOMVEVYXLCJKSR-UHFFFAOYSA-N
XLogP2.91
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone (CID 71809328) is (2-chlorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone is O=C(c1ccccc1Cl)N1CC(S(=O)(=O)C2CCCCC2)C1.
What is the InChIKey of (2-chlorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone?
The InChIKey is QOMVEVYXLCJKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO3S/c17-15-9-5-4-8-14(15)16(19)18-10-13(11-18)22(20,21)12-6-2-1-3-7-12/h4-5,8-9,12-13H,1-3,6-7,10-11H2.
What are the key properties of (2-chlorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone?
(2-chlorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone has a molecular weight of 341.86 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone is sourced from PubChem (CID 71809328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).