3-cyclohexylsulfonyl-1-phenylpropan-1-one

C15H20O3S — CID 116694882

IUPAC3-cyclohexylsulfonyl-1-phenylpropan-1-one
SMILESO=C(CCS(=O)(=O)C1CCCCC1)c1ccccc1
InChIInChI=1S/C15H20O3S/c16-15(13-7-3-1-4-8-13)11-12-19(17,18)14-9-5-2-6-10-14/h1,3-4,7-8,14H,2,5-6,9-12H2
InChIKeySXUMNRHPEBKTTJ-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.01
Rot. Bonds5

About 3-cyclohexylsulfonyl-1-phenylpropan-1-one

3-cyclohexylsulfonyl-1-phenylpropan-1-one (PubChem CID 116694882) has the molecular formula C15H20O3S and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-cyclohexylsulfonyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-cyclohexylsulfonyl-1-phenylpropan-1-one
PubChem CID116694882
Molecular FormulaC15H20O3S
Molecular Weight280.39 g/mol
Exact Mass280.11
IUPAC Name3-cyclohexylsulfonyl-1-phenylpropan-1-one
SMILESO=C(CCS(=O)(=O)C1CCCCC1)c1ccccc1
InChIInChI=1S/C15H20O3S/c16-15(13-7-3-1-4-8-13)11-12-19(17,18)14-9-5-2-6-10-14/h1,3-4,7-8,14H,2,5-6,9-12H2
InChIKeySXUMNRHPEBKTTJ-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylsulfonyl-1-phenylpropan-1-one?
The IUPAC name of 3-cyclohexylsulfonyl-1-phenylpropan-1-one (CID 116694882) is 3-cyclohexylsulfonyl-1-phenylpropan-1-one.
What is the SMILES notation for 3-cyclohexylsulfonyl-1-phenylpropan-1-one?
The canonical SMILES for 3-cyclohexylsulfonyl-1-phenylpropan-1-one is O=C(CCS(=O)(=O)C1CCCCC1)c1ccccc1.
What is the InChIKey of 3-cyclohexylsulfonyl-1-phenylpropan-1-one?
The InChIKey is SXUMNRHPEBKTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3S/c16-15(13-7-3-1-4-8-13)11-12-19(17,18)14-9-5-2-6-10-14/h1,3-4,7-8,14H,2,5-6,9-12H2.
What are the key properties of 3-cyclohexylsulfonyl-1-phenylpropan-1-one?
3-cyclohexylsulfonyl-1-phenylpropan-1-one has a molecular weight of 280.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylsulfonyl-1-phenylpropan-1-one is sourced from PubChem (CID 116694882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).