2-(benzenesulfonyl)-2-methoxy-1-phenylethanone

C15H14O4S — CID 15556726

IUPAC2-(benzenesulfonyl)-2-methoxy-1-phenylethanone
SMILESCOC(C(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14O4S/c1-19-15(14(16)12-8-4-2-5-9-12)20(17,18)13-10-6-3-7-11-13/h2-11,15H,1H3
InChIKeyVFRGAPHMFPMUKF-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.32
Rot. Bonds5

About 2-(benzenesulfonyl)-2-methoxy-1-phenylethanone

2-(benzenesulfonyl)-2-methoxy-1-phenylethanone (PubChem CID 15556726) has the molecular formula C15H14O4S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-2-methoxy-1-phenylethanone.

Molecular Properties

Compound Name2-(benzenesulfonyl)-2-methoxy-1-phenylethanone
PubChem CID15556726
Molecular FormulaC15H14O4S
Molecular Weight290.34 g/mol
Exact Mass290.06
IUPAC Name2-(benzenesulfonyl)-2-methoxy-1-phenylethanone
SMILESCOC(C(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14O4S/c1-19-15(14(16)12-8-4-2-5-9-12)20(17,18)13-10-6-3-7-11-13/h2-11,15H,1H3
InChIKeyVFRGAPHMFPMUKF-UHFFFAOYSA-N
XLogP2.32
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Phenyl-2-(phenylsulphonyl)ethan-1-one
CID 76949
2-((4-Methylphenyl)sulphonyl)-1-phenylethan-1-one
CID 97654
2-(Phenylsulfonyl)-1-p-tolylethanone
CID 15627039
1-Phenyl-3-(phenylsulfonyl)propan-1-one
CID 44437631
4-(Benzenesulfonyl)-1-phenylbutane-1,3-dione
CID 237438
[2-(2,5-Dimethylphenyl)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 7168563
2-(3,4-Dimethylphenyl)-2-oxoethyl 3-[(4-methylphenyl)sulfonyl]propanoate
CID 1739578
[2-(4-Fluorophenyl)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 7168712
1-Phenyl-2-(phenylsulfonyl)-1-propanone
CID 2852164
Ethanone, 1-phenyl-2-(phenylsulfinyl)-
CID 10900874
2-Hydroxy-1-[4-(methylsulfonyl)phenyl]-1-ethanone
CID 2763578
Oxo-{4-[4-(2-oxo-acetyl)-phenylsulfanyl]-phenyl}-acetaldehyde, di-bisulfite
CID 417299

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-2-methoxy-1-phenylethanone?
The IUPAC name of 2-(benzenesulfonyl)-2-methoxy-1-phenylethanone (CID 15556726) is 2-(benzenesulfonyl)-2-methoxy-1-phenylethanone.
What is the SMILES notation for 2-(benzenesulfonyl)-2-methoxy-1-phenylethanone?
The canonical SMILES for 2-(benzenesulfonyl)-2-methoxy-1-phenylethanone is COC(C(=O)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-2-methoxy-1-phenylethanone?
The InChIKey is VFRGAPHMFPMUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4S/c1-19-15(14(16)12-8-4-2-5-9-12)20(17,18)13-10-6-3-7-11-13/h2-11,15H,1H3.
What are the key properties of 2-(benzenesulfonyl)-2-methoxy-1-phenylethanone?
2-(benzenesulfonyl)-2-methoxy-1-phenylethanone has a molecular weight of 290.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-2-methoxy-1-phenylethanone is sourced from PubChem (CID 15556726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).