(2R,6R)-2-(benzenesulfonylmethyl)-6-phenyloxan-3-one

C18H18O4S — CID 10616424

IUPAC(2R,6R)-2-(benzenesulfonylmethyl)-6-phenyloxan-3-one
SMILESO=C1CC[C@H](c2ccccc2)O[C@H]1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H18O4S/c19-16-11-12-17(14-7-3-1-4-8-14)22-18(16)13-23(20,21)15-9-5-2-6-10-15/h1-10,17-18H,11-13H2/t17-,18+/m1/s1
InChIKeyUANHJMNYVMDWEC-MSOLQXFVSA-N
MW330.40 g/mol
LogP2.95
Rot. Bonds4

About (2R,6R)-2-(benzenesulfonylmethyl)-6-phenyloxan-3-one

(2R,6R)-2-(benzenesulfonylmethyl)-6-phenyloxan-3-one (PubChem CID 10616424) has the molecular formula C18H18O4S and a molecular weight of 330.40 g/mol. Its IUPAC name is (2R,6R)-2-(benzenesulfonylmethyl)-6-phenyloxan-3-one.

Molecular Properties

Compound Name(2R,6R)-2-(benzenesulfonylmethyl)-6-phenyloxan-3-one
PubChem CID10616424
Molecular FormulaC18H18O4S
Molecular Weight330.40 g/mol
Exact Mass330.09
IUPAC Name(2R,6R)-2-(benzenesulfonylmethyl)-6-phenyloxan-3-one
SMILESO=C1CC[C@H](c2ccccc2)O[C@H]1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H18O4S/c19-16-11-12-17(14-7-3-1-4-8-14)22-18(16)13-23(20,21)15-9-5-2-6-10-15/h1-10,17-18H,11-13H2/t17-,18+/m1/s1
InChIKeyUANHJMNYVMDWEC-MSOLQXFVSA-N
XLogP2.95
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-Dimethyl-5-(4-methylsulfonylphenyl)-4-phenylfuran-3-one
CID 9884461
3-Benzyl-2-(4-methanesulfonyl-phenyl)-6-methyl-pyran-4-one
CID 11439632
2-Ethyl-2-methyl-5-{4-(methylsulfonyl)phenyl}-4-phenyl-3(2h)-furanone
CID 11164138
2,2-Diethyl-5-(4-methylsulfonylphenyl)-4-phenylfuran-3-one
CID 11257224
2-{4-(Methylsulfonyl)phenyl}-3-phenyl-1-oxa-spiro[4,5]dec-2-en-4-one
CID 11326538
3-(3-Fluorophenyl)-2-(4-methylsulfonylphenyl)-1,8-dioxaspiro[4.5]dec-2-en-4-one
CID 18385587
[4-(Benzenesulfonyl)-1-phenyldecan-3-yl] benzoate
CID 101692197
[2-(Benzenesulfonyl)-1,2-diphenylethyl] acetate
CID 13265384
1-Phenylmethoxy-3-phenylsulfanylpropan-2-one
CID 22905766
3-Oxo-4-phenylmethoxy-2-phenylsulfanylbutanal
CID 86145002
3-(3,5-Difluorophenyl)-2-(4-methylsulfonylphenyl)-1,8-dioxaspiro[4.5]dec-2-en-4-one
CID 18385955
2-Ethyl-5-(2-fluoro-4-methylsulfonylphenyl)-4-(3-fluorophenyl)furan-3-one
CID 69958466

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2-(benzenesulfonylmethyl)-6-phenyloxan-3-one?
The IUPAC name of (2R,6R)-2-(benzenesulfonylmethyl)-6-phenyloxan-3-one (CID 10616424) is (2R,6R)-2-(benzenesulfonylmethyl)-6-phenyloxan-3-one.
What is the SMILES notation for (2R,6R)-2-(benzenesulfonylmethyl)-6-phenyloxan-3-one?
The canonical SMILES for (2R,6R)-2-(benzenesulfonylmethyl)-6-phenyloxan-3-one is O=C1CC[C@H](c2ccccc2)O[C@H]1CS(=O)(=O)c1ccccc1.
What is the InChIKey of (2R,6R)-2-(benzenesulfonylmethyl)-6-phenyloxan-3-one?
The InChIKey is UANHJMNYVMDWEC-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H18O4S/c19-16-11-12-17(14-7-3-1-4-8-14)22-18(16)13-23(20,21)15-9-5-2-6-10-15/h1-10,17-18H,11-13H2/t17-,18+/m1/s1.
What are the key properties of (2R,6R)-2-(benzenesulfonylmethyl)-6-phenyloxan-3-one?
(2R,6R)-2-(benzenesulfonylmethyl)-6-phenyloxan-3-one has a molecular weight of 330.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2-(benzenesulfonylmethyl)-6-phenyloxan-3-one is sourced from PubChem (CID 10616424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).