2-(2-methyloxolan-3-yl)sulfonyl-1-phenylethanone

C13H16O4S — CID 107764032

IUPAC2-(2-methyloxolan-3-yl)sulfonyl-1-phenylethanone
SMILESCC1OCCC1S(=O)(=O)CC(=O)c1ccccc1
InChIInChI=1S/C13H16O4S/c1-10-13(7-8-17-10)18(15,16)9-12(14)11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3
InChIKeyZBQKCFLGBWOJHL-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.46
Rot. Bonds4

About 2-(2-methyloxolan-3-yl)sulfonyl-1-phenylethanone

2-(2-methyloxolan-3-yl)sulfonyl-1-phenylethanone (PubChem CID 107764032) has the molecular formula C13H16O4S and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-(2-methyloxolan-3-yl)sulfonyl-1-phenylethanone.

Molecular Properties

Compound Name2-(2-methyloxolan-3-yl)sulfonyl-1-phenylethanone
PubChem CID107764032
Molecular FormulaC13H16O4S
Molecular Weight268.33 g/mol
Exact Mass268.08
IUPAC Name2-(2-methyloxolan-3-yl)sulfonyl-1-phenylethanone
SMILESCC1OCCC1S(=O)(=O)CC(=O)c1ccccc1
InChIInChI=1S/C13H16O4S/c1-10-13(7-8-17-10)18(15,16)9-12(14)11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3
InChIKeyZBQKCFLGBWOJHL-UHFFFAOYSA-N
XLogP1.46
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-methyloxolan-3-yl)sulfonyl-1-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methyloxolan-3-yl)sulfonyl-1-thiophen-2-ylethanone
CID 107764008
1-(2,5-difluorophenyl)-2-(2-methyloxolan-3-yl)sulfonylethanone
CID 107764040
2-[4-[(2-methyloxolan-3-yl)sulfonylmethyl]phenyl]acetic acid
CID 107746538
methyl 4-[(2-methyloxolan-3-yl)sulfonylmethyl]benzoate
CID 107746500
3-(chloromethylsulfonyl)-2-methyloxolane
CID 107746968
5-(2-methyloxolan-3-yl)sulfonylpentanoic acid
CID 107746515
2-ethylsulfonyl-1-phenylethanone
CID 19033550
3-methyl-5-[(2-methyloxolan-3-yl)sulfonylmethyl]furan-2-carboxylic acid
CID 107746487
3-(2-methyloxolan-3-yl)sulfonyl-3-phenylpropan-1-amine
CID 107766551
sodium 2-oxo-2-phenylethanesulfonate
CID 23684703
1-(2-methoxyphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfonylethanamine
CID 107758131
2-oxo-2-phenylethanesulfonamide
CID 13398961

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyloxolan-3-yl)sulfonyl-1-phenylethanone?
The IUPAC name of 2-(2-methyloxolan-3-yl)sulfonyl-1-phenylethanone (CID 107764032) is 2-(2-methyloxolan-3-yl)sulfonyl-1-phenylethanone.
What is the SMILES notation for 2-(2-methyloxolan-3-yl)sulfonyl-1-phenylethanone?
The canonical SMILES for 2-(2-methyloxolan-3-yl)sulfonyl-1-phenylethanone is CC1OCCC1S(=O)(=O)CC(=O)c1ccccc1.
What is the InChIKey of 2-(2-methyloxolan-3-yl)sulfonyl-1-phenylethanone?
The InChIKey is ZBQKCFLGBWOJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4S/c1-10-13(7-8-17-10)18(15,16)9-12(14)11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3.
What are the key properties of 2-(2-methyloxolan-3-yl)sulfonyl-1-phenylethanone?
2-(2-methyloxolan-3-yl)sulfonyl-1-phenylethanone has a molecular weight of 268.33 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyloxolan-3-yl)sulfonyl-1-phenylethanone is sourced from PubChem (CID 107764032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).