3,3,3-trifluoro-N-[1,1,2,2,3,3-hexafluoro-3-(methylsulfonylsulfamoyl)propyl]sulfonylpropanamide

C7H7F9N2O7S3 — CID 164960725

IUPAC3,3,3-trifluoro-N-[1,1,2,2,3,3-hexafluoro-3-(methylsulfonylsulfamoyl)propyl]sulfonylpropanamide
SMILESCS(=O)(=O)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NC(=O)CC(F)(F)F
InChIInChI=1S/C7H7F9N2O7S3/c1-26(20,21)18-28(24,25)7(15,16)5(11,12)6(13,14)27(22,23)17-3(19)2-4(8,9)10/h18H,2H2,1H3,(H,17,19)
InChIKeyJUUQODMEQFGBER-UHFFFAOYSA-N
MW498.32 g/mol
LogP0.08
Rot. Bonds8

About 3,3,3-trifluoro-N-[1,1,2,2,3,3-hexafluoro-3-(methylsulfonylsulfamoyl)propyl]sulfonylpropanamide

3,3,3-trifluoro-N-[1,1,2,2,3,3-hexafluoro-3-(methylsulfonylsulfamoyl)propyl]sulfonylpropanamide (PubChem CID 164960725) has the molecular formula C7H7F9N2O7S3 and a molecular weight of 498.32 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[1,1,2,2,3,3-hexafluoro-3-(methylsulfonylsulfamoyl)propyl]sulfonylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[1,1,2,2,3,3-hexafluoro-3-(methylsulfonylsulfamoyl)propyl]sulfonylpropanamide
PubChem CID164960725
Molecular FormulaC7H7F9N2O7S3
Molecular Weight498.32 g/mol
Exact Mass497.93
IUPAC Name3,3,3-trifluoro-N-[1,1,2,2,3,3-hexafluoro-3-(methylsulfonylsulfamoyl)propyl]sulfonylpropanamide
SMILESCS(=O)(=O)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NC(=O)CC(F)(F)F
InChIInChI=1S/C7H7F9N2O7S3/c1-26(20,21)18-28(24,25)7(15,16)5(11,12)6(13,14)27(22,23)17-3(19)2-4(8,9)10/h18H,2H2,1H3,(H,17,19)
InChIKeyJUUQODMEQFGBER-UHFFFAOYSA-N
XLogP0.08
TPSA143.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.32
LogP ≤ 50.08
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 3,3,3-trifluoro-N-[1,1,2,2,3,3-hexafluoro-3-(methylsulfonylsulfamoyl)propyl]sulfonylpropanamide?
The IUPAC name of 3,3,3-trifluoro-N-[1,1,2,2,3,3-hexafluoro-3-(methylsulfonylsulfamoyl)propyl]sulfonylpropanamide (CID 164960725) is 3,3,3-trifluoro-N-[1,1,2,2,3,3-hexafluoro-3-(methylsulfonylsulfamoyl)propyl]sulfonylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[1,1,2,2,3,3-hexafluoro-3-(methylsulfonylsulfamoyl)propyl]sulfonylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[1,1,2,2,3,3-hexafluoro-3-(methylsulfonylsulfamoyl)propyl]sulfonylpropanamide is CS(=O)(=O)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NC(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-[1,1,2,2,3,3-hexafluoro-3-(methylsulfonylsulfamoyl)propyl]sulfonylpropanamide?
The InChIKey is JUUQODMEQFGBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F9N2O7S3/c1-26(20,21)18-28(24,25)7(15,16)5(11,12)6(13,14)27(22,23)17-3(19)2-4(8,9)10/h18H,2H2,1H3,(H,17,19).
What are the key properties of 3,3,3-trifluoro-N-[1,1,2,2,3,3-hexafluoro-3-(methylsulfonylsulfamoyl)propyl]sulfonylpropanamide?
3,3,3-trifluoro-N-[1,1,2,2,3,3-hexafluoro-3-(methylsulfonylsulfamoyl)propyl]sulfonylpropanamide has a molecular weight of 498.32 g/mol, XLogP of 0.08, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[1,1,2,2,3,3-hexafluoro-3-(methylsulfonylsulfamoyl)propyl]sulfonylpropanamide is sourced from PubChem (CID 164960725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).