(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonyl-methylsulfonylazanide

C4H3F7NO6S3- — CID 58852798

IUPAC(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonyl-methylsulfonylazanide
SMILESCS(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)F
InChIInChI=1S/C4H3F7NO6S3/c1-19(13,14)12-21(17,18)4(9,10)2(5,6)3(7,8)20(11,15)16/h1H3/q-1
InChIKeyLYFSYJRPMDOWJL-UHFFFAOYSA-N
MW390.26 g/mol
LogP0.77
Rot. Bonds6

About (1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonyl-methylsulfonylazanide

(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonyl-methylsulfonylazanide (PubChem CID 58852798) has the molecular formula C4H3F7NO6S3- and a molecular weight of 390.26 g/mol. Its IUPAC name is (1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonyl-methylsulfonylazanide.

Molecular Properties

Compound Name(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonyl-methylsulfonylazanide
PubChem CID58852798
Molecular FormulaC4H3F7NO6S3-
Molecular Weight390.26 g/mol
Exact Mass389.90
IUPAC Name(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonyl-methylsulfonylazanide
SMILESCS(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)F
InChIInChI=1S/C4H3F7NO6S3/c1-19(13,14)12-21(17,18)4(9,10)2(5,6)3(7,8)20(11,15)16/h1H3/q-1
InChIKeyLYFSYJRPMDOWJL-UHFFFAOYSA-N
XLogP0.77
TPSA116.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.26
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3,4,4,4-Nonafluorobutylsulfonyl(trifluoromethylsulfonyl)azanide
CID 23524874
1,1,2,2,3-pentafluoro-N-methylsulfonylpropane-1-sulfonamide
CID 58108248
1,1,2,2,2-Pentafluoroethylsulfonyl(1,1,2,2-tetrafluoropropylsulfonyl)azanide
CID 58122766
(1,1,2,2,3,3-Hexafluoro-3-fluorosulfonylpropyl)sulfonyl-(trifluoromethyl)azanide
CID 58519955
(1,1,2,2,3,3-Hexafluoro-3-fluorosulfonylpropyl)sulfonyl-(trifluoromethylsulfonyl)azanide
CID 58852788
1,1,2,2,3,3-Hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonyl fluoride
CID 58852789
1,1,2,2,3,3-Hexafluoro-3-(methylsulfonylsulfamoyl)propane-1-sulfonyl fluoride
CID 58852799
1,1,2,2,3,3-Hexafluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylsulfamoyl)propane-1-sulfonyl fluoride
CID 58852804
(1,1,2,2,3,3-Hexafluoro-3-fluorosulfonylpropyl)sulfonyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanide
CID 58852812
1,1,2,2,3,3,4,4-Octafluoro-4-(trifluoromethylsulfonylsulfamoyl)butane-1-sulfonyl fluoride
CID 58852815
1,1,2,2,3,3,3-heptafluoro-N-methylsulfonylpropane-1-sulfonamide
CID 58981319
1,1,2,2,3,3-Hexafluorobutylsulfonyl(1,1,2,2-tetrafluoroethylsulfonyl)azanide
CID 59112472

Frequently Asked Questions

What is the IUPAC name of (1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonyl-methylsulfonylazanide?
The IUPAC name of (1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonyl-methylsulfonylazanide (CID 58852798) is (1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonyl-methylsulfonylazanide.
What is the SMILES notation for (1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonyl-methylsulfonylazanide?
The canonical SMILES for (1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonyl-methylsulfonylazanide is CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)F.
What is the InChIKey of (1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonyl-methylsulfonylazanide?
The InChIKey is LYFSYJRPMDOWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F7NO6S3/c1-19(13,14)12-21(17,18)4(9,10)2(5,6)3(7,8)20(11,15)16/h1H3/q-1.
What are the key properties of (1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonyl-methylsulfonylazanide?
(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonyl-methylsulfonylazanide has a molecular weight of 390.26 g/mol, XLogP of 0.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonyl-methylsulfonylazanide is sourced from PubChem (CID 58852798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).