2-ethylsulfonyl-1-phenylethanone

C10H12O3S — CID 19033550

IUPAC2-ethylsulfonyl-1-phenylethanone
SMILESCCS(=O)(=O)CC(=O)c1ccccc1
InChIInChI=1S/C10H12O3S/c1-2-14(12,13)8-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyCWSMVHKSBBRQFZ-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.30
Rot. Bonds4

About 2-ethylsulfonyl-1-phenylethanone

2-ethylsulfonyl-1-phenylethanone (PubChem CID 19033550) has the molecular formula C10H12O3S and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-ethylsulfonyl-1-phenylethanone.

Molecular Properties

Compound Name2-ethylsulfonyl-1-phenylethanone
PubChem CID19033550
Molecular FormulaC10H12O3S
Molecular Weight212.27 g/mol
Exact Mass212.05
IUPAC Name2-ethylsulfonyl-1-phenylethanone
SMILESCCS(=O)(=O)CC(=O)c1ccccc1
InChIInChI=1S/C10H12O3S/c1-2-14(12,13)8-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyCWSMVHKSBBRQFZ-UHFFFAOYSA-N
XLogP1.30
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-2-phenylethanesulfonamide
CID 13398961
2-butan-2-ylsulfonyl-1-phenylethanone
CID 64643739
sodium 2-oxo-2-phenylethanesulfonate
CID 23684703
1-phenyl(111C)propan-1-one
CID 11159350
4-ethylsulfonyl-1-phenylbutan-1-one
CID 61057259
2-ethylsulfonyl-1-(3-methoxyphenyl)ethanone
CID 64643903
1-phenylpropan-1-one;zirconium
CID 173295106
methane;1-phenylpropan-1-one
CID 67638055
1-phenyl-2-(triphenyl-λ4-sulfanyl)ethanone
CID 66720884
2-(2-methylphenyl)sulfonyl-1-phenylethanone
CID 53400632
1-phenyl-2-(7-triethoxysilylheptylsulfonyl)ethanone
CID 71445749
1-phenylbutan-1-one
CID 10315

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-1-phenylethanone?
The IUPAC name of 2-ethylsulfonyl-1-phenylethanone (CID 19033550) is 2-ethylsulfonyl-1-phenylethanone.
What is the SMILES notation for 2-ethylsulfonyl-1-phenylethanone?
The canonical SMILES for 2-ethylsulfonyl-1-phenylethanone is CCS(=O)(=O)CC(=O)c1ccccc1.
What is the InChIKey of 2-ethylsulfonyl-1-phenylethanone?
The InChIKey is CWSMVHKSBBRQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3S/c1-2-14(12,13)8-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of 2-ethylsulfonyl-1-phenylethanone?
2-ethylsulfonyl-1-phenylethanone has a molecular weight of 212.27 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-1-phenylethanone is sourced from PubChem (CID 19033550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).