[N-(diethylsulfamoyl)-S-(difluoromethyl)sulfonimidoyl] hypofluorite

C5H11F3N2O4S2 — CID 20705428

IUPAC[N-(diethylsulfamoyl)-S-(difluoromethyl)sulfonimidoyl] hypofluorite
SMILESCCN(CC)S(=O)(=O)N=S(=O)(OF)C(F)F
InChIInChI=1S/C5H11F3N2O4S2/c1-3-10(4-2)16(12,13)9-15(11,14-8)5(6)7/h5H,3-4H2,1-2H3
InChIKeyXBEMJCXIAGDEPW-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.08
Rot. Bonds6

About [N-(diethylsulfamoyl)-S-(difluoromethyl)sulfonimidoyl] hypofluorite

[N-(diethylsulfamoyl)-S-(difluoromethyl)sulfonimidoyl] hypofluorite (PubChem CID 20705428) has the molecular formula C5H11F3N2O4S2 and a molecular weight of 284.28 g/mol. Its IUPAC name is [N-(diethylsulfamoyl)-S-(difluoromethyl)sulfonimidoyl] hypofluorite.

Molecular Properties

Compound Name[N-(diethylsulfamoyl)-S-(difluoromethyl)sulfonimidoyl] hypofluorite
PubChem CID20705428
Molecular FormulaC5H11F3N2O4S2
Molecular Weight284.28 g/mol
Exact Mass284.01
IUPAC Name[N-(diethylsulfamoyl)-S-(difluoromethyl)sulfonimidoyl] hypofluorite
SMILESCCN(CC)S(=O)(=O)N=S(=O)(OF)C(F)F
InChIInChI=1S/C5H11F3N2O4S2/c1-3-10(4-2)16(12,13)9-15(11,14-8)5(6)7/h5H,3-4H2,1-2H3
InChIKeyXBEMJCXIAGDEPW-UHFFFAOYSA-N
XLogP1.08
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Tetraethylammonium bistrifluoromethanesulfonimidate
CID 16218644
N-[ethyl(methyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide
CID 59046683
N-(dipropylsulfamoyl)-1,1,1-trifluoromethanesulfonamide
CID 59046694
N,N-Diethyl-1,1,1-trifluoromethanesulfonamide
CID 17751979
N-diethyldifluoromethanesulfonamide
CID 58436046
Triethyl(trifluoromethylsulfonyl)azanium;trifluoromethanesulfonate
CID 134917356
[N-(dibutylsulfamoyl)-S-(difluoromethyl)sulfonimidoyl] hypofluorite
CID 20705427
[S-(difluoromethyl)-N-(dipropylsulfamoyl)sulfonimidoyl] hypofluorite
CID 20705456
[S-(difluoromethyl)-N-[ethyl(methyl)sulfamoyl]sulfonimidoyl] hypofluorite
CID 20705457
(Difluoro-lambda4-sulfanylidene)-diethylazanium;trifluoromethanesulfonate
CID 46221211
N,N-diethyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide
CID 58962014
N,N-diethyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide
CID 58962015

Frequently Asked Questions

What is the IUPAC name of [N-(diethylsulfamoyl)-S-(difluoromethyl)sulfonimidoyl] hypofluorite?
The IUPAC name of [N-(diethylsulfamoyl)-S-(difluoromethyl)sulfonimidoyl] hypofluorite (CID 20705428) is [N-(diethylsulfamoyl)-S-(difluoromethyl)sulfonimidoyl] hypofluorite.
What is the SMILES notation for [N-(diethylsulfamoyl)-S-(difluoromethyl)sulfonimidoyl] hypofluorite?
The canonical SMILES for [N-(diethylsulfamoyl)-S-(difluoromethyl)sulfonimidoyl] hypofluorite is CCN(CC)S(=O)(=O)N=S(=O)(OF)C(F)F.
What is the InChIKey of [N-(diethylsulfamoyl)-S-(difluoromethyl)sulfonimidoyl] hypofluorite?
The InChIKey is XBEMJCXIAGDEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F3N2O4S2/c1-3-10(4-2)16(12,13)9-15(11,14-8)5(6)7/h5H,3-4H2,1-2H3.
What are the key properties of [N-(diethylsulfamoyl)-S-(difluoromethyl)sulfonimidoyl] hypofluorite?
[N-(diethylsulfamoyl)-S-(difluoromethyl)sulfonimidoyl] hypofluorite has a molecular weight of 284.28 g/mol, XLogP of 1.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [N-(diethylsulfamoyl)-S-(difluoromethyl)sulfonimidoyl] hypofluorite is sourced from PubChem (CID 20705428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).