2-benzylsulfonyl-1-cyclohexylethanone

C15H20O3S — CID 104756083

IUPAC2-benzylsulfonyl-1-cyclohexylethanone
SMILESO=C(CS(=O)(=O)Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C15H20O3S/c16-15(14-9-5-2-6-10-14)12-19(17,18)11-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2
InChIKeyBHUSBAMAMNXOMT-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.75
Rot. Bonds5

About 2-benzylsulfonyl-1-cyclohexylethanone

2-benzylsulfonyl-1-cyclohexylethanone (PubChem CID 104756083) has the molecular formula C15H20O3S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-benzylsulfonyl-1-cyclohexylethanone.

Molecular Properties

Compound Name2-benzylsulfonyl-1-cyclohexylethanone
PubChem CID104756083
Molecular FormulaC15H20O3S
Molecular Weight280.39 g/mol
Exact Mass280.11
IUPAC Name2-benzylsulfonyl-1-cyclohexylethanone
SMILESO=C(CS(=O)(=O)Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C15H20O3S/c16-15(14-9-5-2-6-10-14)12-19(17,18)11-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2
InChIKeyBHUSBAMAMNXOMT-UHFFFAOYSA-N
XLogP2.75
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopentylethanone
CID 103291146
1-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfonyl]ethanone
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1-cyclohexyl-4-phenylbutan-1-one
CID 11481636
2-(2-chlorophenyl)sulfonyl-1-cyclohexylethanone
CID 115736295
1-cyclohexyl-2-(dibenzylamino)ethanone
CID 130167125
N,N-dibenzylcyclohexanecarboxamide
CID 1371794
2-(benzylsulfonylmethyl)prop-2-enoic acid
CID 141473330
2-benzylsulfonyl-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acetamide
CID 647806
1-cyclopentyl-2-thiophen-2-ylsulfonylethanone
CID 104756093
1-(benzylsulfonylmethyl)piperidine
CID 22922289
2-benzyl-3-cyclohexylbut-2-enedioic acid
CID 54041835
3-benzylsulfonyl-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one
CID 7339220

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonyl-1-cyclohexylethanone?
The IUPAC name of 2-benzylsulfonyl-1-cyclohexylethanone (CID 104756083) is 2-benzylsulfonyl-1-cyclohexylethanone.
What is the SMILES notation for 2-benzylsulfonyl-1-cyclohexylethanone?
The canonical SMILES for 2-benzylsulfonyl-1-cyclohexylethanone is O=C(CS(=O)(=O)Cc1ccccc1)C1CCCCC1.
What is the InChIKey of 2-benzylsulfonyl-1-cyclohexylethanone?
The InChIKey is BHUSBAMAMNXOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3S/c16-15(14-9-5-2-6-10-14)12-19(17,18)11-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2.
What are the key properties of 2-benzylsulfonyl-1-cyclohexylethanone?
2-benzylsulfonyl-1-cyclohexylethanone has a molecular weight of 280.39 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonyl-1-cyclohexylethanone is sourced from PubChem (CID 104756083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).