N-(1,1,2,2,3-pentafluoropropylsulfonyl)sulfamoyl fluoride

C3H3F6NO4S2 — CID 58445707

IUPACN-(1,1,2,2,3-pentafluoropropylsulfonyl)sulfamoyl fluoride
SMILESO=S(=O)(F)NS(=O)(=O)C(F)(F)C(F)(F)CF
InChIInChI=1S/C3H3F6NO4S2/c4-1-2(5,6)3(7,8)15(11,12)10-16(9,13)14/h10H,1H2
InChIKeyUWLKMWPUBRZDGW-UHFFFAOYSA-N
MW295.18 g/mol
LogP0.32
Rot. Bonds5

About N-(1,1,2,2,3-pentafluoropropylsulfonyl)sulfamoyl fluoride

N-(1,1,2,2,3-pentafluoropropylsulfonyl)sulfamoyl fluoride (PubChem CID 58445707) has the molecular formula C3H3F6NO4S2 and a molecular weight of 295.18 g/mol. Its IUPAC name is N-(1,1,2,2,3-pentafluoropropylsulfonyl)sulfamoyl fluoride.

Molecular Properties

Compound NameN-(1,1,2,2,3-pentafluoropropylsulfonyl)sulfamoyl fluoride
PubChem CID58445707
Molecular FormulaC3H3F6NO4S2
Molecular Weight295.18 g/mol
Exact Mass294.94
IUPAC NameN-(1,1,2,2,3-pentafluoropropylsulfonyl)sulfamoyl fluoride
SMILESO=S(=O)(F)NS(=O)(=O)C(F)(F)C(F)(F)CF
InChIInChI=1S/C3H3F6NO4S2/c4-1-2(5,6)3(7,8)15(11,12)10-16(9,13)14/h10H,1H2
InChIKeyUWLKMWPUBRZDGW-UHFFFAOYSA-N
XLogP0.32
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Bis(1,1,2,2,3,3,3-heptafluoro-1-propanesulfonyl)imide
CID 12167909
Nonafluorobutylsulfonyl(trifluoromethylsulfonyl)amine
CID 11048287
1,1,2,2,3,3,3-heptafluoro-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 59703058
1,1,1,2,3,3,3-heptafluoro-N-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfonyl)propane-2-sulfonamide
CID 12992972
1,1,2,2,3,3,4,4,4-nonafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)butane-1-sulfonamide
CID 15549560
Azanium;1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropane-1-sulfonate
CID 20059475
N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride
CID 46837540
1,1,2,2,3-pentafluoro-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 57641964
1,1,2,2,3,3-hexafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)butane-1-sulfonamide
CID 57983880
N-(1,1-difluoroethylsulfonyl)-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide
CID 57983884
1,1,2,2-tetrafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)propane-1-sulfonamide
CID 57983888
1,1-difluoro-N-(trifluoromethylsulfonyl)ethanesulfonamide
CID 57983892

Frequently Asked Questions

What is the IUPAC name of N-(1,1,2,2,3-pentafluoropropylsulfonyl)sulfamoyl fluoride?
The IUPAC name of N-(1,1,2,2,3-pentafluoropropylsulfonyl)sulfamoyl fluoride (CID 58445707) is N-(1,1,2,2,3-pentafluoropropylsulfonyl)sulfamoyl fluoride.
What is the SMILES notation for N-(1,1,2,2,3-pentafluoropropylsulfonyl)sulfamoyl fluoride?
The canonical SMILES for N-(1,1,2,2,3-pentafluoropropylsulfonyl)sulfamoyl fluoride is O=S(=O)(F)NS(=O)(=O)C(F)(F)C(F)(F)CF.
What is the InChIKey of N-(1,1,2,2,3-pentafluoropropylsulfonyl)sulfamoyl fluoride?
The InChIKey is UWLKMWPUBRZDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F6NO4S2/c4-1-2(5,6)3(7,8)15(11,12)10-16(9,13)14/h10H,1H2.
What are the key properties of N-(1,1,2,2,3-pentafluoropropylsulfonyl)sulfamoyl fluoride?
N-(1,1,2,2,3-pentafluoropropylsulfonyl)sulfamoyl fluoride has a molecular weight of 295.18 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,2,2,3-pentafluoropropylsulfonyl)sulfamoyl fluoride is sourced from PubChem (CID 58445707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).