[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-(trifluoromethylsulfonyl)azanide

C7H10F5N2O6S3- — CID 59392258

IUPAC[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-(trifluoromethylsulfonyl)azanide
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)S(=O)(=O)N1CCCCC1)C(F)(F)F
InChIInChI=1S/C7H10F5N2O6S3/c8-6(9,10)21(15,16)13-22(17,18)7(11,12)23(19,20)14-4-2-1-3-5-14/h1-5H2/q-1
InChIKeyGXSAMWAGGHGZAP-UHFFFAOYSA-N
MW409.36 g/mol
LogP0.91
Rot. Bonds5

About [difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-(trifluoromethylsulfonyl)azanide

[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-(trifluoromethylsulfonyl)azanide (PubChem CID 59392258) has the molecular formula C7H10F5N2O6S3- and a molecular weight of 409.36 g/mol. Its IUPAC name is [difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Name[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-(trifluoromethylsulfonyl)azanide
PubChem CID59392258
Molecular FormulaC7H10F5N2O6S3-
Molecular Weight409.36 g/mol
Exact Mass408.96
IUPAC Name[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-(trifluoromethylsulfonyl)azanide
SMILESO=S(=O)([N-]S(=O)(=O)C(F)(F)S(=O)(=O)N1CCCCC1)C(F)(F)F
InChIInChI=1S/C7H10F5N2O6S3/c8-6(9,10)21(15,16)13-22(17,18)7(11,12)23(19,20)14-4-2-1-3-5-14/h1-5H2/q-1
InChIKeyGXSAMWAGGHGZAP-UHFFFAOYSA-N
XLogP0.91
TPSA119.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.36
LogP ≤ 50.91
H-Bond Donors ≤ 50
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-(Trifluoromethylsulfonyl)piperidine
CID 11085234
1-Hexyl-1-methylpiperidinium bis(trifluoromethylsulfonyl)amide
CID 129846499
1-Ethyl-1-methylpiperidinium bis(trifluoromethylsulfonyl)imide
CID 129858872
N-methyl-N-methoxymethylpiperidinium bis(trifluoromethylsulfonyl)imide
CID 134716398
N-pentyl-N-ethylpiperidinium-bis(trifluoromethylsulfonyl)imide
CID 134716464
[1-(Trifluoromethylsulfonyl)piperidin-1-ium-1-yl] trifluoromethanesulfonate
CID 90797662
1-(Difluoroiodomethylsulfonyl)piperidine
CID 129823529
1,1,2,2,3,3-Hexafluoro-3-(piperidin-1-ylsulfonyl)propane-1-sulfonic acid
CID 23144941
[1-(Trifluoromethylsulfonyloxy)piperidin-1-ium-1-yl] trifluoromethanesulfonate
CID 57181545
1,1,1-trifluoro-N-(piperidin-1-ylsulfonylmethylsulfonyl)methanesulfonamide
CID 57896051

Frequently Asked Questions

What is the IUPAC name of [difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
The IUPAC name of [difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-(trifluoromethylsulfonyl)azanide (CID 59392258) is [difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for [difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
The canonical SMILES for [difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-(trifluoromethylsulfonyl)azanide is O=S(=O)([N-]S(=O)(=O)C(F)(F)S(=O)(=O)N1CCCCC1)C(F)(F)F.
What is the InChIKey of [difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
The InChIKey is GXSAMWAGGHGZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F5N2O6S3/c8-6(9,10)21(15,16)13-22(17,18)7(11,12)23(19,20)14-4-2-1-3-5-14/h1-5H2/q-1.
What are the key properties of [difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-(trifluoromethylsulfonyl)azanide has a molecular weight of 409.36 g/mol, XLogP of 0.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 59392258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).