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

C17H23NO4S — CID 71809296

IUPAC(3-cyclohexylsulfonylazetidin-1-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CC(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C17H23NO4S/c1-22-16-10-6-5-9-15(16)17(19)18-11-14(12-18)23(20,21)13-7-3-2-4-8-13/h5-6,9-10,13-14H,2-4,7-8,11-12H2,1H3
InChIKeyLMQSSUGPYKNWBI-UHFFFAOYSA-N
MW337.44 g/mol
LogP2.27
Rot. Bonds4

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

(3-cyclohexylsulfonylazetidin-1-yl)-(2-methoxyphenyl)methanone (PubChem CID 71809296) has the molecular formula C17H23NO4S and a molecular weight of 337.44 g/mol. Its IUPAC name is (3-cyclohexylsulfonylazetidin-1-yl)-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-cyclohexylsulfonylazetidin-1-yl)-(2-methoxyphenyl)methanone
PubChem CID71809296
Molecular FormulaC17H23NO4S
Molecular Weight337.44 g/mol
Exact Mass337.13
IUPAC Name(3-cyclohexylsulfonylazetidin-1-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CC(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C17H23NO4S/c1-22-16-10-6-5-9-15(16)17(19)18-11-14(12-18)23(20,21)13-7-3-2-4-8-13/h5-6,9-10,13-14H,2-4,7-8,11-12H2,1H3
InChIKeyLMQSSUGPYKNWBI-UHFFFAOYSA-N
XLogP2.27
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chlorophenyl)-(3-cyclohexylsulfonylazetidin-1-yl)methanone
CID 71809328
(2-methoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662304
(3-cyclohexylsulfonylazetidin-1-yl)-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 121141365
(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone
CID 796432
(2-methoxyphenyl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone
CID 110736037
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934
methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 84581536
(3-bromopiperidin-1-yl)-(2-methoxyphenyl)methanone
CID 80660088
[(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone
CID 129366272
1-cyclohexyl-3-[1-(2-methoxybenzoyl)piperidin-4-yl]urea
CID 127232346
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
(3-ethoxyazetidin-1-yl)-(2-methoxyphenyl)methanone
CID 123539708

Frequently Asked Questions

What is the IUPAC name of (3-cyclohexylsulfonylazetidin-1-yl)-(2-methoxyphenyl)methanone?
The IUPAC name of (3-cyclohexylsulfonylazetidin-1-yl)-(2-methoxyphenyl)methanone (CID 71809296) is (3-cyclohexylsulfonylazetidin-1-yl)-(2-methoxyphenyl)methanone.
What is the SMILES notation for (3-cyclohexylsulfonylazetidin-1-yl)-(2-methoxyphenyl)methanone?
The canonical SMILES for (3-cyclohexylsulfonylazetidin-1-yl)-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CC(S(=O)(=O)C2CCCCC2)C1.
What is the InChIKey of (3-cyclohexylsulfonylazetidin-1-yl)-(2-methoxyphenyl)methanone?
The InChIKey is LMQSSUGPYKNWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4S/c1-22-16-10-6-5-9-15(16)17(19)18-11-14(12-18)23(20,21)13-7-3-2-4-8-13/h5-6,9-10,13-14H,2-4,7-8,11-12H2,1H3.
What are the key properties of (3-cyclohexylsulfonylazetidin-1-yl)-(2-methoxyphenyl)methanone?
(3-cyclohexylsulfonylazetidin-1-yl)-(2-methoxyphenyl)methanone has a molecular weight of 337.44 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexylsulfonylazetidin-1-yl)-(2-methoxyphenyl)methanone is sourced from PubChem (CID 71809296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).