[1,1,2,2,3,3-hexafluoro-3-[2-[2-[[1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylazanidylsulfonyl)propyl]sulfonylamino]ethyl-methylamino]ethylsulfamoyl]propyl]sulfonyl-(trifluoromethylsulfonyl)azanide

C13H13F18N5O12S6-2 — CID 59524556

IUPAC[1,1,2,2,3,3-hexafluoro-3-[2-[2-[[1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylazanidylsulfonyl)propyl]sulfonylamino]ethyl-methylamino]ethylsulfamoyl]propyl]sulfonyl-(trifluoromethylsulfonyl)azanide
SMILESCN(CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C13H13F18N5O12S6/c1-36(4-2-32-49(37,38)8(18,19)6(14,15)10(22,23)51(41,42)34-53(45,46)12(26,27)28)5-3-33-50(39,40)9(20,21)7(16,17)11(24,25)52(43,44)35-54(47,48)13(29,30)31/h32-33H,2-5H2,1H3/q-2
InChIKeyRYZTZNQWTWARTL-UHFFFAOYSA-N
MW965.64 g/mol
LogP1.50
Rot. Bonds20

About [1,1,2,2,3,3-hexafluoro-3-[2-[2-[[1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylazanidylsulfonyl)propyl]sulfonylamino]ethyl-methylamino]ethylsulfamoyl]propyl]sulfonyl-(trifluoromethylsulfonyl)azanide

[1,1,2,2,3,3-hexafluoro-3-[2-[2-[[1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylazanidylsulfonyl)propyl]sulfonylamino]ethyl-methylamino]ethylsulfamoyl]propyl]sulfonyl-(trifluoromethylsulfonyl)azanide (PubChem CID 59524556) has the molecular formula C13H13F18N5O12S6-2 and a molecular weight of 965.64 g/mol. Its IUPAC name is [1,1,2,2,3,3-hexafluoro-3-[2-[2-[[1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylazanidylsulfonyl)propyl]sulfonylamino]ethyl-methylamino]ethylsulfamoyl]propyl]sulfonyl-(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Name[1,1,2,2,3,3-hexafluoro-3-[2-[2-[[1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylazanidylsulfonyl)propyl]sulfonylamino]ethyl-methylamino]ethylsulfamoyl]propyl]sulfonyl-(trifluoromethylsulfonyl)azanide
PubChem CID59524556
Molecular FormulaC13H13F18N5O12S6-2
Molecular Weight965.64 g/mol
Exact Mass964.86
IUPAC Name[1,1,2,2,3,3-hexafluoro-3-[2-[2-[[1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylazanidylsulfonyl)propyl]sulfonylamino]ethyl-methylamino]ethylsulfamoyl]propyl]sulfonyl-(trifluoromethylsulfonyl)azanide
SMILESCN(CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChIInChI=1S/C13H13F18N5O12S6/c1-36(4-2-32-49(37,38)8(18,19)6(14,15)10(22,23)51(41,42)34-53(45,46)12(26,27)28)5-3-33-50(39,40)9(20,21)7(16,17)11(24,25)52(43,44)35-54(47,48)13(29,30)31/h32-33H,2-5H2,1H3/q-2
InChIKeyRYZTZNQWTWARTL-UHFFFAOYSA-N
XLogP1.50
TPSA260.34 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds20
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500965.64
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze [1,1,2,2,3,3-hexafluoro-3-[2-[2-[[1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylazanidylsulfonyl)propyl]sulfonylamino]ethyl-methylamino]ethylsulfamoyl]propyl]sulfonyl-(trifluoromethylsulfonyl)azanide with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1,1,2,2,3,3-hexafluoro-3-[2-[2-[[1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylazanidylsulfonyl)propyl]sulfonylamino]ethyl-methylamino]ethylsulfamoyl]propyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
The IUPAC name of [1,1,2,2,3,3-hexafluoro-3-[2-[2-[[1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylazanidylsulfonyl)propyl]sulfonylamino]ethyl-methylamino]ethylsulfamoyl]propyl]sulfonyl-(trifluoromethylsulfonyl)azanide (CID 59524556) is [1,1,2,2,3,3-hexafluoro-3-[2-[2-[[1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylazanidylsulfonyl)propyl]sulfonylamino]ethyl-methylamino]ethylsulfamoyl]propyl]sulfonyl-(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for [1,1,2,2,3,3-hexafluoro-3-[2-[2-[[1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylazanidylsulfonyl)propyl]sulfonylamino]ethyl-methylamino]ethylsulfamoyl]propyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
The canonical SMILES for [1,1,2,2,3,3-hexafluoro-3-[2-[2-[[1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylazanidylsulfonyl)propyl]sulfonylamino]ethyl-methylamino]ethylsulfamoyl]propyl]sulfonyl-(trifluoromethylsulfonyl)azanide is CN(CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.
What is the InChIKey of [1,1,2,2,3,3-hexafluoro-3-[2-[2-[[1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylazanidylsulfonyl)propyl]sulfonylamino]ethyl-methylamino]ethylsulfamoyl]propyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
The InChIKey is RYZTZNQWTWARTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F18N5O12S6/c1-36(4-2-32-49(37,38)8(18,19)6(14,15)10(22,23)51(41,42)34-53(45,46)12(26,27)28)5-3-33-50(39,40)9(20,21)7(16,17)11(24,25)52(43,44)35-54(47,48)13(29,30)31/h32-33H,2-5H2,1H3/q-2.
What are the key properties of [1,1,2,2,3,3-hexafluoro-3-[2-[2-[[1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylazanidylsulfonyl)propyl]sulfonylamino]ethyl-methylamino]ethylsulfamoyl]propyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
[1,1,2,2,3,3-hexafluoro-3-[2-[2-[[1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylazanidylsulfonyl)propyl]sulfonylamino]ethyl-methylamino]ethylsulfamoyl]propyl]sulfonyl-(trifluoromethylsulfonyl)azanide has a molecular weight of 965.64 g/mol, XLogP of 1.50, 20 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,2,2,3,3-hexafluoro-3-[2-[2-[[1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylazanidylsulfonyl)propyl]sulfonylamino]ethyl-methylamino]ethylsulfamoyl]propyl]sulfonyl-(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 59524556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).