(2-fluoro-5-methylphenyl)-(3-methylsulfonylcyclohexyl)methanone

C15H19FO3S — CID 115786050

IUPAC(2-fluoro-5-methylphenyl)-(3-methylsulfonylcyclohexyl)methanone
SMILESCc1ccc(F)c(C(=O)C2CCCC(S(C)(=O)=O)C2)c1
InChIInChI=1S/C15H19FO3S/c1-10-6-7-14(16)13(8-10)15(17)11-4-3-5-12(9-11)20(2,18)19/h6-8,11-12H,3-5,9H2,1-2H3
InChIKeyGKXIKTJHYXYKFV-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.92
Rot. Bonds3

About (2-fluoro-5-methylphenyl)-(3-methylsulfonylcyclohexyl)methanone

(2-fluoro-5-methylphenyl)-(3-methylsulfonylcyclohexyl)methanone (PubChem CID 115786050) has the molecular formula C15H19FO3S and a molecular weight of 298.38 g/mol. Its IUPAC name is (2-fluoro-5-methylphenyl)-(3-methylsulfonylcyclohexyl)methanone.

Molecular Properties

Compound Name(2-fluoro-5-methylphenyl)-(3-methylsulfonylcyclohexyl)methanone
PubChem CID115786050
Molecular FormulaC15H19FO3S
Molecular Weight298.38 g/mol
Exact Mass298.10
IUPAC Name(2-fluoro-5-methylphenyl)-(3-methylsulfonylcyclohexyl)methanone
SMILESCc1ccc(F)c(C(=O)C2CCCC(S(C)(=O)=O)C2)c1
InChIInChI=1S/C15H19FO3S/c1-10-6-7-14(16)13(8-10)15(17)11-4-3-5-12(9-11)20(2,18)19/h6-8,11-12H,3-5,9H2,1-2H3
InChIKeyGKXIKTJHYXYKFV-UHFFFAOYSA-N
XLogP2.92
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-5-methylphenyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171944984
(4-bromo-2,6-difluorophenyl)-(3-methylsulfonylcyclohexyl)methanone
CID 115785925
(3-bromo-2-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanone
CID 107957262
(2-fluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171944974
azetidin-3-yl-(2-fluoro-5-methylphenyl)methanone
CID 116583692
cycloheptyl-(2-fluoro-4-methylphenyl)methanone
CID 115794872
(3-methylfuran-2-yl)-(3-methylsulfonylcyclohexyl)methanone
CID 104799669
(2-methoxy-5-methylphenyl)-(3-methylcyclohexyl)methanone
CID 62795415
(3-methylsulfonylcyclohexyl)-pyrimidin-5-ylmethanone
CID 102923191
(2-fluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 115787788
(2-fluoro-5-methylphenyl)-(2-methyloxolan-3-yl)methanone
CID 114970867
(6-methoxypyrimidin-4-yl)-(3-methylsulfonylcyclohexyl)methanone
CID 102950080

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methylphenyl)-(3-methylsulfonylcyclohexyl)methanone?
The IUPAC name of (2-fluoro-5-methylphenyl)-(3-methylsulfonylcyclohexyl)methanone (CID 115786050) is (2-fluoro-5-methylphenyl)-(3-methylsulfonylcyclohexyl)methanone.
What is the SMILES notation for (2-fluoro-5-methylphenyl)-(3-methylsulfonylcyclohexyl)methanone?
The canonical SMILES for (2-fluoro-5-methylphenyl)-(3-methylsulfonylcyclohexyl)methanone is Cc1ccc(F)c(C(=O)C2CCCC(S(C)(=O)=O)C2)c1.
What is the InChIKey of (2-fluoro-5-methylphenyl)-(3-methylsulfonylcyclohexyl)methanone?
The InChIKey is GKXIKTJHYXYKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO3S/c1-10-6-7-14(16)13(8-10)15(17)11-4-3-5-12(9-11)20(2,18)19/h6-8,11-12H,3-5,9H2,1-2H3.
What are the key properties of (2-fluoro-5-methylphenyl)-(3-methylsulfonylcyclohexyl)methanone?
(2-fluoro-5-methylphenyl)-(3-methylsulfonylcyclohexyl)methanone has a molecular weight of 298.38 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-methylphenyl)-(3-methylsulfonylcyclohexyl)methanone is sourced from PubChem (CID 115786050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).