2,2-difluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone

C7H12F2N2O3S — CID 103514727

IUPAC2,2-difluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCS(=O)(=O)N1CCN(C(=O)C(F)F)CC1
InChIInChI=1S/C7H12F2N2O3S/c1-15(13,14)11-4-2-10(3-5-11)7(12)6(8)9/h6H,2-5H2,1H3
InChIKeyYYRLWZVPICHYQA-UHFFFAOYSA-N
MW242.25 g/mol
LogP-0.64
Rot. Bonds2

About 2,2-difluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone

2,2-difluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone (PubChem CID 103514727) has the molecular formula C7H12F2N2O3S and a molecular weight of 242.25 g/mol. Its IUPAC name is 2,2-difluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone
PubChem CID103514727
Molecular FormulaC7H12F2N2O3S
Molecular Weight242.25 g/mol
Exact Mass242.05
IUPAC Name2,2-difluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCS(=O)(=O)N1CCN(C(=O)C(F)F)CC1
InChIInChI=1S/C7H12F2N2O3S/c1-15(13,14)11-4-2-10(3-5-11)7(12)6(8)9/h6H,2-5H2,1H3
InChIKeyYYRLWZVPICHYQA-UHFFFAOYSA-N
XLogP-0.64
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 5-0.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2-difluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 2,2-difluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone (CID 103514727) is 2,2-difluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2,2-difluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 2,2-difluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone is CS(=O)(=O)N1CCN(C(=O)C(F)F)CC1.
What is the InChIKey of 2,2-difluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is YYRLWZVPICHYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O3S/c1-15(13,14)11-4-2-10(3-5-11)7(12)6(8)9/h6H,2-5H2,1H3.
What are the key properties of 2,2-difluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
2,2-difluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 242.25 g/mol, XLogP of -0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(4-methylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 103514727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).