2-(2-methylsulfonylethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone

C14H20O5S2 — CID 64641613

IUPAC2-(2-methylsulfonylethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CS(=O)(=O)CCS(C)(=O)=O)c(C)c1
InChIInChI=1S/C14H20O5S2/c1-10-7-11(2)14(12(3)8-10)13(15)9-21(18,19)6-5-20(4,16)17/h7-8H,5-6,9H2,1-4H3
InChIKeyTWGFTJSEYFRXJB-UHFFFAOYSA-N
MW332.44 g/mol
LogP1.25
Rot. Bonds6

About 2-(2-methylsulfonylethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone

2-(2-methylsulfonylethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone (PubChem CID 64641613) has the molecular formula C14H20O5S2 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-(2-methylsulfonylethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-methylsulfonylethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone
PubChem CID64641613
Molecular FormulaC14H20O5S2
Molecular Weight332.44 g/mol
Exact Mass332.08
IUPAC Name2-(2-methylsulfonylethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CS(=O)(=O)CCS(C)(=O)=O)c(C)c1
InChIInChI=1S/C14H20O5S2/c1-10-7-11(2)14(12(3)8-10)13(15)9-21(18,19)6-5-20(4,16)17/h7-8H,5-6,9H2,1-4H3
InChIKeyTWGFTJSEYFRXJB-UHFFFAOYSA-N
XLogP1.25
TPSA85.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-methylsulfonylethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone 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-methoxyethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 64644353
2-(oxolan-2-ylmethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 106497039
2-butylsulfonyl-1-(2,4-dimethylphenyl)ethanone
CID 64638048
2-methoxy-1-(2,4,6-trimethylphenyl)ethanone
CID 15502799
1-(2,4,6-trimethylphenyl)but-3-yn-1-one
CID 114962026
4-oxo-4-(2,4,6-trimethylphenyl)butanamide
CID 82079539
CID 174550209
CID 174550209
3-methyl-1-(2,4,6-trimethylphenyl)hexan-1-one
CID 14871792
2-(4-butylsulfonylpiperazin-1-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 110366745
3-amino-5-methylsulfonyl-1-(2,4,6-trimethylphenyl)pentan-2-one
CID 116552052
2-(2-aminoethylsulfonyl)-N-(2,4,6-trimethylphenyl)acetamide
CID 82179960
2-[ethyl(propyl)amino]-1-(2,4,6-trimethylphenyl)ethanone
CID 43795362

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 2-(2-methylsulfonylethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone (CID 64641613) is 2-(2-methylsulfonylethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 2-(2-methylsulfonylethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 2-(2-methylsulfonylethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)CS(=O)(=O)CCS(C)(=O)=O)c(C)c1.
What is the InChIKey of 2-(2-methylsulfonylethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is TWGFTJSEYFRXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5S2/c1-10-7-11(2)14(12(3)8-10)13(15)9-21(18,19)6-5-20(4,16)17/h7-8H,5-6,9H2,1-4H3.
What are the key properties of 2-(2-methylsulfonylethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone?
2-(2-methylsulfonylethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 332.44 g/mol, XLogP of 1.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylethylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 64641613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).