N-[2-[6-[2-[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylsulfamoyl]-2,2-difluoroacetyl]-1,6-diazacycloundec-1-yl]-1,1-difluoro-2-oxoethyl]sulfonyl-1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonamide

C27H40F8N6O12S4 — CID 88580501

IUPACN-[2-[6-[2-[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylsulfamoyl]-2,2-difluoroacetyl]-1,6-diazacycloundec-1-yl]-1,1-difluoro-2-oxoethyl]sulfonyl-1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonamide
SMILESO=C(N1CCCCC1)C(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)C(=O)N1CCCCCN(C(=O)C(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)C(=O)N2CCCCC2)CCCC1
InChIInChI=1S/C27H40F8N6O12S4/c28-24(29,20(42)38-12-4-1-5-13-38)54(46,47)36-56(50,51)26(32,33)22(44)40-16-8-3-9-17-41(19-11-10-18-40)23(45)27(34,35)57(52,53)37-55(48,49)25(30,31)21(43)39-14-6-2-7-15-39/h36-37H,1-19H2
InChIKeyFDIHMLKUHMDQRT-UHFFFAOYSA-N
MW920.90 g/mol
LogP0.50
Rot. Bonds12

About N-[2-[6-[2-[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylsulfamoyl]-2,2-difluoroacetyl]-1,6-diazacycloundec-1-yl]-1,1-difluoro-2-oxoethyl]sulfonyl-1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonamide

N-[2-[6-[2-[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylsulfamoyl]-2,2-difluoroacetyl]-1,6-diazacycloundec-1-yl]-1,1-difluoro-2-oxoethyl]sulfonyl-1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonamide (PubChem CID 88580501) has the molecular formula C27H40F8N6O12S4 and a molecular weight of 920.90 g/mol. Its IUPAC name is N-[2-[6-[2-[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylsulfamoyl]-2,2-difluoroacetyl]-1,6-diazacycloundec-1-yl]-1,1-difluoro-2-oxoethyl]sulfonyl-1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonamide.

Molecular Properties

Compound NameN-[2-[6-[2-[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylsulfamoyl]-2,2-difluoroacetyl]-1,6-diazacycloundec-1-yl]-1,1-difluoro-2-oxoethyl]sulfonyl-1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonamide
PubChem CID88580501
Molecular FormulaC27H40F8N6O12S4
Molecular Weight920.90 g/mol
Exact Mass920.15
IUPAC NameN-[2-[6-[2-[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylsulfamoyl]-2,2-difluoroacetyl]-1,6-diazacycloundec-1-yl]-1,1-difluoro-2-oxoethyl]sulfonyl-1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonamide
SMILESO=C(N1CCCCC1)C(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)C(=O)N1CCCCCN(C(=O)C(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)C(=O)N2CCCCC2)CCCC1
InChIInChI=1S/C27H40F8N6O12S4/c28-24(29,20(42)38-12-4-1-5-13-38)54(46,47)36-56(50,51)26(32,33)22(44)40-16-8-3-9-17-41(19-11-10-18-40)23(45)27(34,35)57(52,53)37-55(48,49)25(30,31)21(43)39-14-6-2-7-15-39/h36-37H,1-19H2
InChIKeyFDIHMLKUHMDQRT-UHFFFAOYSA-N
XLogP0.50
TPSA241.86 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500920.90
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N-[2-[6-[2-[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylsulfamoyl]-2,2-difluoroacetyl]-1,6-diazacycloundec-1-yl]-1,1-difluoro-2-oxoethyl]sulfonyl-1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonamide with MolForge

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Related Compounds

bis[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonyl]azanide
CID 58100504
2,2,3,3-tetrafluoro-1,4-di(piperidin-1-yl)butane-1,4-dione
CID 4999121
2,2,3,3,4,4,5,5-octafluoro-1,6-di(piperidin-1-yl)hexane-1,6-dione
CID 3095784
1,5-bis(azepan-1-yl)-2,2,3,3,4,4-hexafluoropentane-1,5-dione
CID 5093018
3,3,3-trifluoro-2-hydroxy-2-methyl-1-piperidin-1-ylpropan-1-one
CID 10751652
2,2-difluoro-1-morpholin-4-yl-2-morpholin-4-ylsulfonylethanone
CID 1356929
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-piperidin-1-ylnonan-1-one
CID 3572182
N-[2-(1-adamantylmethoxy)-1,1-difluoro-2-hydroxyethyl]sulfinyl-1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonamide
CID 123927607
2,2,2-trifluoro-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 110344018
2-piperidin-1-ylacetonitrile;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 171931640
2,2-difluoro-2-[(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonylsulfamoyl]-N-(2-hydroxyethyl)-N-propylacetamide
CID 91568106
indium(3+);bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)
CID 131725280

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-[2-[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylsulfamoyl]-2,2-difluoroacetyl]-1,6-diazacycloundec-1-yl]-1,1-difluoro-2-oxoethyl]sulfonyl-1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonamide?
The IUPAC name of N-[2-[6-[2-[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylsulfamoyl]-2,2-difluoroacetyl]-1,6-diazacycloundec-1-yl]-1,1-difluoro-2-oxoethyl]sulfonyl-1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonamide (CID 88580501) is N-[2-[6-[2-[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylsulfamoyl]-2,2-difluoroacetyl]-1,6-diazacycloundec-1-yl]-1,1-difluoro-2-oxoethyl]sulfonyl-1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonamide.
What is the SMILES notation for N-[2-[6-[2-[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylsulfamoyl]-2,2-difluoroacetyl]-1,6-diazacycloundec-1-yl]-1,1-difluoro-2-oxoethyl]sulfonyl-1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonamide?
The canonical SMILES for N-[2-[6-[2-[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylsulfamoyl]-2,2-difluoroacetyl]-1,6-diazacycloundec-1-yl]-1,1-difluoro-2-oxoethyl]sulfonyl-1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonamide is O=C(N1CCCCC1)C(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)C(=O)N1CCCCCN(C(=O)C(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)C(=O)N2CCCCC2)CCCC1.
What is the InChIKey of N-[2-[6-[2-[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylsulfamoyl]-2,2-difluoroacetyl]-1,6-diazacycloundec-1-yl]-1,1-difluoro-2-oxoethyl]sulfonyl-1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonamide?
The InChIKey is FDIHMLKUHMDQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40F8N6O12S4/c28-24(29,20(42)38-12-4-1-5-13-38)54(46,47)36-56(50,51)26(32,33)22(44)40-16-8-3-9-17-41(19-11-10-18-40)23(45)27(34,35)57(52,53)37-55(48,49)25(30,31)21(43)39-14-6-2-7-15-39/h36-37H,1-19H2.
What are the key properties of N-[2-[6-[2-[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylsulfamoyl]-2,2-difluoroacetyl]-1,6-diazacycloundec-1-yl]-1,1-difluoro-2-oxoethyl]sulfonyl-1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonamide?
N-[2-[6-[2-[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylsulfamoyl]-2,2-difluoroacetyl]-1,6-diazacycloundec-1-yl]-1,1-difluoro-2-oxoethyl]sulfonyl-1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonamide has a molecular weight of 920.90 g/mol, XLogP of 0.50, 12 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-[2-[(1,1-difluoro-2-oxo-2-piperidin-1-ylethyl)sulfonylsulfamoyl]-2,2-difluoroacetyl]-1,6-diazacycloundec-1-yl]-1,1-difluoro-2-oxoethyl]sulfonyl-1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonamide is sourced from PubChem (CID 88580501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).