2-fluoro-N-[1,1,2,2,3,3-hexafluoro-3-(methylsulfonylsulfamoyl)propyl]sulfonylacetamide

C6H7F7N2O7S3 — CID 163948958

IUPAC2-fluoro-N-[1,1,2,2,3,3-hexafluoro-3-(methylsulfonylsulfamoyl)propyl]sulfonylacetamide
SMILESCS(=O)(=O)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NC(=O)CF
InChIInChI=1S/C6H7F7N2O7S3/c1-23(17,18)15-25(21,22)6(12,13)4(8,9)5(10,11)24(19,20)14-3(16)2-7/h15H,2H2,1H3,(H,14,16)
InChIKeyHTWJRDMDHMULOT-UHFFFAOYSA-N
MW448.32 g/mol
LogP-0.90
Rot. Bonds8

About 2-fluoro-N-[1,1,2,2,3,3-hexafluoro-3-(methylsulfonylsulfamoyl)propyl]sulfonylacetamide

2-fluoro-N-[1,1,2,2,3,3-hexafluoro-3-(methylsulfonylsulfamoyl)propyl]sulfonylacetamide (PubChem CID 163948958) has the molecular formula C6H7F7N2O7S3 and a molecular weight of 448.32 g/mol. Its IUPAC name is 2-fluoro-N-[1,1,2,2,3,3-hexafluoro-3-(methylsulfonylsulfamoyl)propyl]sulfonylacetamide.

Molecular Properties

Compound Name2-fluoro-N-[1,1,2,2,3,3-hexafluoro-3-(methylsulfonylsulfamoyl)propyl]sulfonylacetamide
PubChem CID163948958
Molecular FormulaC6H7F7N2O7S3
Molecular Weight448.32 g/mol
Exact Mass447.93
IUPAC Name2-fluoro-N-[1,1,2,2,3,3-hexafluoro-3-(methylsulfonylsulfamoyl)propyl]sulfonylacetamide
SMILESCS(=O)(=O)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NC(=O)CF
InChIInChI=1S/C6H7F7N2O7S3/c1-23(17,18)15-25(21,22)6(12,13)4(8,9)5(10,11)24(19,20)14-3(16)2-7/h15H,2H2,1H3,(H,14,16)
InChIKeyHTWJRDMDHMULOT-UHFFFAOYSA-N
XLogP-0.90
TPSA143.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.32
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1,1,2,2,3,3-hexafluoro-3-(methylsulfonylsulfamoyl)propyl]sulfonylacetamide?
The IUPAC name of 2-fluoro-N-[1,1,2,2,3,3-hexafluoro-3-(methylsulfonylsulfamoyl)propyl]sulfonylacetamide (CID 163948958) is 2-fluoro-N-[1,1,2,2,3,3-hexafluoro-3-(methylsulfonylsulfamoyl)propyl]sulfonylacetamide.
What is the SMILES notation for 2-fluoro-N-[1,1,2,2,3,3-hexafluoro-3-(methylsulfonylsulfamoyl)propyl]sulfonylacetamide?
The canonical SMILES for 2-fluoro-N-[1,1,2,2,3,3-hexafluoro-3-(methylsulfonylsulfamoyl)propyl]sulfonylacetamide is CS(=O)(=O)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NC(=O)CF.
What is the InChIKey of 2-fluoro-N-[1,1,2,2,3,3-hexafluoro-3-(methylsulfonylsulfamoyl)propyl]sulfonylacetamide?
The InChIKey is HTWJRDMDHMULOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F7N2O7S3/c1-23(17,18)15-25(21,22)6(12,13)4(8,9)5(10,11)24(19,20)14-3(16)2-7/h15H,2H2,1H3,(H,14,16).
What are the key properties of 2-fluoro-N-[1,1,2,2,3,3-hexafluoro-3-(methylsulfonylsulfamoyl)propyl]sulfonylacetamide?
2-fluoro-N-[1,1,2,2,3,3-hexafluoro-3-(methylsulfonylsulfamoyl)propyl]sulfonylacetamide has a molecular weight of 448.32 g/mol, XLogP of -0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1,1,2,2,3,3-hexafluoro-3-(methylsulfonylsulfamoyl)propyl]sulfonylacetamide is sourced from PubChem (CID 163948958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).