N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-1,1,1-trifluoromethanesulfonamide

C7H11F5N2O6S3 — CID 59392259

IUPACN-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)S(=O)(=O)N1CCCCC1)C(F)(F)F
InChIInChI=1S/C7H11F5N2O6S3/c8-6(9,10)21(15,16)13-22(17,18)7(11,12)23(19,20)14-4-2-1-3-5-14/h13H,1-5H2
InChIKeyMCPAFVHOXFPHRB-UHFFFAOYSA-N
MW410.36 g/mol
LogP0.12
Rot. Bonds5

About N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-1,1,1-trifluoromethanesulfonamide

N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-1,1,1-trifluoromethanesulfonamide (PubChem CID 59392259) has the molecular formula C7H11F5N2O6S3 and a molecular weight of 410.36 g/mol. Its IUPAC name is N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-1,1,1-trifluoromethanesulfonamide
PubChem CID59392259
Molecular FormulaC7H11F5N2O6S3
Molecular Weight410.36 g/mol
Exact Mass409.97
IUPAC NameN-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)S(=O)(=O)N1CCCCC1)C(F)(F)F
InChIInChI=1S/C7H11F5N2O6S3/c8-6(9,10)21(15,16)13-22(17,18)7(11,12)23(19,20)14-4-2-1-3-5-14/h13H,1-5H2
InChIKeyMCPAFVHOXFPHRB-UHFFFAOYSA-N
XLogP0.12
TPSA117.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.36
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-1,1,1-trifluoromethanesulfonamide (CID 59392259) is N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-1,1,1-trifluoromethanesulfonamide is O=S(=O)(NS(=O)(=O)C(F)(F)S(=O)(=O)N1CCCCC1)C(F)(F)F.
What is the InChIKey of N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-1,1,1-trifluoromethanesulfonamide?
The InChIKey is MCPAFVHOXFPHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F5N2O6S3/c8-6(9,10)21(15,16)13-22(17,18)7(11,12)23(19,20)14-4-2-1-3-5-14/h13H,1-5H2.
What are the key properties of N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-1,1,1-trifluoromethanesulfonamide?
N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-1,1,1-trifluoromethanesulfonamide has a molecular weight of 410.36 g/mol, XLogP of 0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 59392259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).