[S-(difluoromethyl)-N-[ethyl(methyl)sulfamoyl]sulfonimidoyl] hypofluorite

C4H9F3N2O4S2 — CID 20705457

IUPAC[S-(difluoromethyl)-N-[ethyl(methyl)sulfamoyl]sulfonimidoyl] hypofluorite
SMILESCCN(C)S(=O)(=O)N=S(=O)(OF)C(F)F
InChIInChI=1S/C4H9F3N2O4S2/c1-3-9(2)15(11,12)8-14(10,13-7)4(5)6/h4H,3H2,1-2H3
InChIKeyDKSUYQCAWGXAEI-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.69
Rot. Bonds5

About [S-(difluoromethyl)-N-[ethyl(methyl)sulfamoyl]sulfonimidoyl] hypofluorite

[S-(difluoromethyl)-N-[ethyl(methyl)sulfamoyl]sulfonimidoyl] hypofluorite (PubChem CID 20705457) has the molecular formula C4H9F3N2O4S2 and a molecular weight of 270.25 g/mol. Its IUPAC name is [S-(difluoromethyl)-N-[ethyl(methyl)sulfamoyl]sulfonimidoyl] hypofluorite.

Molecular Properties

Compound Name[S-(difluoromethyl)-N-[ethyl(methyl)sulfamoyl]sulfonimidoyl] hypofluorite
PubChem CID20705457
Molecular FormulaC4H9F3N2O4S2
Molecular Weight270.25 g/mol
Exact Mass270.00
IUPAC Name[S-(difluoromethyl)-N-[ethyl(methyl)sulfamoyl]sulfonimidoyl] hypofluorite
SMILESCCN(C)S(=O)(=O)N=S(=O)(OF)C(F)F
InChIInChI=1S/C4H9F3N2O4S2/c1-3-9(2)15(11,12)8-14(10,13-7)4(5)6/h4H,3H2,1-2H3
InChIKeyDKSUYQCAWGXAEI-UHFFFAOYSA-N
XLogP0.69
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[ethyl(methyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide
CID 59046683
N-(dipropylsulfamoyl)-1,1,1-trifluoromethanesulfonamide
CID 59046694
N-diethyldifluoromethanesulfonamide
CID 58436046
N-ethyl-N-methyl-trifluoromethanesulfonamide
CID 88576394
[N-(diethylsulfamoyl)-S-(difluoromethyl)sulfonimidoyl] hypofluorite
CID 20705428
[S-(difluoromethyl)-N-(dipropylsulfamoyl)sulfonimidoyl] hypofluorite
CID 20705456
N,N-diethyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide
CID 58962014
N,N-diethyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide
CID 58962015
[Ethyl(methyl)sulfamoyl]-(trifluoromethylsulfonyl)azanide
CID 59046682
Dipropylsulfamoyl(trifluoromethylsulfonyl)azanide
CID 59046693
Diethylsulfamoyl(trifluoromethylsulfonyl)azanide
CID 59046740
N-(diethylsulfamoyl)-1,1,1-trifluoromethanesulfonamide
CID 59046741

Frequently Asked Questions

What is the IUPAC name of [S-(difluoromethyl)-N-[ethyl(methyl)sulfamoyl]sulfonimidoyl] hypofluorite?
The IUPAC name of [S-(difluoromethyl)-N-[ethyl(methyl)sulfamoyl]sulfonimidoyl] hypofluorite (CID 20705457) is [S-(difluoromethyl)-N-[ethyl(methyl)sulfamoyl]sulfonimidoyl] hypofluorite.
What is the SMILES notation for [S-(difluoromethyl)-N-[ethyl(methyl)sulfamoyl]sulfonimidoyl] hypofluorite?
The canonical SMILES for [S-(difluoromethyl)-N-[ethyl(methyl)sulfamoyl]sulfonimidoyl] hypofluorite is CCN(C)S(=O)(=O)N=S(=O)(OF)C(F)F.
What is the InChIKey of [S-(difluoromethyl)-N-[ethyl(methyl)sulfamoyl]sulfonimidoyl] hypofluorite?
The InChIKey is DKSUYQCAWGXAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F3N2O4S2/c1-3-9(2)15(11,12)8-14(10,13-7)4(5)6/h4H,3H2,1-2H3.
What are the key properties of [S-(difluoromethyl)-N-[ethyl(methyl)sulfamoyl]sulfonimidoyl] hypofluorite?
[S-(difluoromethyl)-N-[ethyl(methyl)sulfamoyl]sulfonimidoyl] hypofluorite has a molecular weight of 270.25 g/mol, XLogP of 0.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [S-(difluoromethyl)-N-[ethyl(methyl)sulfamoyl]sulfonimidoyl] hypofluorite is sourced from PubChem (CID 20705457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).