cyclobutyl-(4-methylsulfonylphenyl)methanone

C12H14O3S — CID 82497049

IUPACcyclobutyl-(4-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)C2CCC2)cc1
InChIInChI=1S/C12H14O3S/c1-16(14,15)11-7-5-10(6-8-11)12(13)9-3-2-4-9/h5-9H,2-4H2,1H3
InChIKeyFQQFAVJWDSMUML-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.07
Rot. Bonds3

About cyclobutyl-(4-methylsulfonylphenyl)methanone

cyclobutyl-(4-methylsulfonylphenyl)methanone (PubChem CID 82497049) has the molecular formula C12H14O3S and a molecular weight of 238.31 g/mol. Its IUPAC name is cyclobutyl-(4-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Namecyclobutyl-(4-methylsulfonylphenyl)methanone
PubChem CID82497049
Molecular FormulaC12H14O3S
Molecular Weight238.31 g/mol
Exact Mass238.07
IUPAC Namecyclobutyl-(4-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)C2CCC2)cc1
InChIInChI=1S/C12H14O3S/c1-16(14,15)11-7-5-10(6-8-11)12(13)9-3-2-4-9/h5-9H,2-4H2,1H3
InChIKeyFQQFAVJWDSMUML-UHFFFAOYSA-N
XLogP2.07
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyclobutanecarbonyl)phenyl]methanesulfonamide
CID 43161158
(4-methylsulfonylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 115783940
cyclobutyl-[4-(4-methylsulfonylbenzoyl)piperazin-1-yl]methanone
CID 110803821
(E)-3-cyclohexyl-3-(4-methylsulfonylphenyl)prop-2-enoic acid
CID 150155729
2-[4-(cyclopropanecarbonyl)phenyl]sulfonylpropanoic acid
CID 82165157
3-[4-(cyclopropanecarbonyl)phenyl]sulfonylpentane-2,4-dione
CID 98903991
2-[4-(cyclopropanecarbonyl)phenyl]sulfonyl-2-methylpropanoic acid
CID 82165183
N-(2-chloroethyl)-N-cyclopentyl-4-methylsulfonylbenzamide
CID 63391222
N-(2-aminoethyl)-N-cyclobutyl-4-methylsulfonylbenzamide
CID 102874024
ethyl 4-(cyclobutanecarbonyl)benzoate
CID 24724122
cyclopropyl-[4-(4-methylsulfonylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110806526
methyl 2-[4-(cyclopropanecarbonyl)phenyl]sulfonylacetate
CID 82165154

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(4-methylsulfonylphenyl)methanone?
The IUPAC name of cyclobutyl-(4-methylsulfonylphenyl)methanone (CID 82497049) is cyclobutyl-(4-methylsulfonylphenyl)methanone.
What is the SMILES notation for cyclobutyl-(4-methylsulfonylphenyl)methanone?
The canonical SMILES for cyclobutyl-(4-methylsulfonylphenyl)methanone is CS(=O)(=O)c1ccc(C(=O)C2CCC2)cc1.
What is the InChIKey of cyclobutyl-(4-methylsulfonylphenyl)methanone?
The InChIKey is FQQFAVJWDSMUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3S/c1-16(14,15)11-7-5-10(6-8-11)12(13)9-3-2-4-9/h5-9H,2-4H2,1H3.
What are the key properties of cyclobutyl-(4-methylsulfonylphenyl)methanone?
cyclobutyl-(4-methylsulfonylphenyl)methanone has a molecular weight of 238.31 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(4-methylsulfonylphenyl)methanone is sourced from PubChem (CID 82497049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).