2,2-difluoro-N-methylsulfonyl-1-piperidin-1-ylsulfonylethenesulfonamide

C8H14F2N2O6S3 — CID 58291398

IUPAC2,2-difluoro-N-methylsulfonyl-1-piperidin-1-ylsulfonylethenesulfonamide
SMILESCS(=O)(=O)NS(=O)(=O)C(=C(F)F)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C8H14F2N2O6S3/c1-19(13,14)11-20(15,16)8(7(9)10)21(17,18)12-5-3-2-4-6-12/h11H,2-6H2,1H3
InChIKeyZFOOFQVTOBPVJR-UHFFFAOYSA-N
MW368.41 g/mol
LogP-0.25
Rot. Bonds5

About 2,2-difluoro-N-methylsulfonyl-1-piperidin-1-ylsulfonylethenesulfonamide

2,2-difluoro-N-methylsulfonyl-1-piperidin-1-ylsulfonylethenesulfonamide (PubChem CID 58291398) has the molecular formula C8H14F2N2O6S3 and a molecular weight of 368.41 g/mol. Its IUPAC name is 2,2-difluoro-N-methylsulfonyl-1-piperidin-1-ylsulfonylethenesulfonamide.

Molecular Properties

Compound Name2,2-difluoro-N-methylsulfonyl-1-piperidin-1-ylsulfonylethenesulfonamide
PubChem CID58291398
Molecular FormulaC8H14F2N2O6S3
Molecular Weight368.41 g/mol
Exact Mass368.00
IUPAC Name2,2-difluoro-N-methylsulfonyl-1-piperidin-1-ylsulfonylethenesulfonamide
SMILESCS(=O)(=O)NS(=O)(=O)C(=C(F)F)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C8H14F2N2O6S3/c1-19(13,14)11-20(15,16)8(7(9)10)21(17,18)12-5-3-2-4-6-12/h11H,2-6H2,1H3
InChIKeyZFOOFQVTOBPVJR-UHFFFAOYSA-N
XLogP-0.25
TPSA117.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-Butyl-1-methylpiperidinium bis(trifluoromethylsulfonyl)imide
CID 12184311
1-Methyl-1-propylpiperidin-1-ium Bis((trifluoromethyl)sulfonyl)amide
CID 16726630
1-Ethyl-1-methylpiperidinium bis(trifluoromethylsulfonyl)imide
CID 129858872
N-pentyl-N-ethylpiperidinium-bis(trifluoromethylsulfonyl)imide
CID 134716464
1,1,1-trifluoro-N-(piperidin-1-ylsulfonylmethylsulfonyl)methanesulfonamide
CID 57896051
(1,1,2,2,3,3-Hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-(trifluoromethylsulfonyl)azanide
CID 57981554
1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 57981555
1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonyl-N-(trifluoromethyl)propane-1-sulfonamide
CID 58031149
(1,1,2,2,3,3-Hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonyl-(trifluoromethyl)azanide
CID 58051951
1-(2,2-Difluoropropylsulfonyl)piperidine
CID 58122780
1,1,2,2,3,3-hexafluoro-N-methyl-3-piperidin-1-ylsulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 58240456
1-(1,1-Difluoroprop-1-en-2-ylsulfonyl)piperidine
CID 58291402

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-methylsulfonyl-1-piperidin-1-ylsulfonylethenesulfonamide?
The IUPAC name of 2,2-difluoro-N-methylsulfonyl-1-piperidin-1-ylsulfonylethenesulfonamide (CID 58291398) is 2,2-difluoro-N-methylsulfonyl-1-piperidin-1-ylsulfonylethenesulfonamide.
What is the SMILES notation for 2,2-difluoro-N-methylsulfonyl-1-piperidin-1-ylsulfonylethenesulfonamide?
The canonical SMILES for 2,2-difluoro-N-methylsulfonyl-1-piperidin-1-ylsulfonylethenesulfonamide is CS(=O)(=O)NS(=O)(=O)C(=C(F)F)S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2,2-difluoro-N-methylsulfonyl-1-piperidin-1-ylsulfonylethenesulfonamide?
The InChIKey is ZFOOFQVTOBPVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O6S3/c1-19(13,14)11-20(15,16)8(7(9)10)21(17,18)12-5-3-2-4-6-12/h11H,2-6H2,1H3.
What are the key properties of 2,2-difluoro-N-methylsulfonyl-1-piperidin-1-ylsulfonylethenesulfonamide?
2,2-difluoro-N-methylsulfonyl-1-piperidin-1-ylsulfonylethenesulfonamide has a molecular weight of 368.41 g/mol, XLogP of -0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-methylsulfonyl-1-piperidin-1-ylsulfonylethenesulfonamide is sourced from PubChem (CID 58291398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).