N,N-diethyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide

C5H11F2NO5S2 — CID 58962015

IUPACN,N-diethyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide
SMILESCCN(CC)S(=O)(=O)C(F)(F)SOOO
InChIInChI=1S/C5H11F2NO5S2/c1-3-8(4-2)15(10,11)5(6,7)14-13-12-9/h9H,3-4H2,1-2H3
InChIKeyXRFYVRFVUZNEQG-UHFFFAOYSA-N
MW267.27 g/mol
LogP1.28
Rot. Bonds7

About N,N-diethyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide

N,N-diethyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide (PubChem CID 58962015) has the molecular formula C5H11F2NO5S2 and a molecular weight of 267.27 g/mol. Its IUPAC name is N,N-diethyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide
PubChem CID58962015
Molecular FormulaC5H11F2NO5S2
Molecular Weight267.27 g/mol
Exact Mass267.00
IUPAC NameN,N-diethyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide
SMILESCCN(CC)S(=O)(=O)C(F)(F)SOOO
InChIInChI=1S/C5H11F2NO5S2/c1-3-8(4-2)15(10,11)5(6,7)14-13-12-9/h9H,3-4H2,1-2H3
InChIKeyXRFYVRFVUZNEQG-UHFFFAOYSA-N
XLogP1.28
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[ethyl(methyl)sulfamoyl]-1,1,1-trifluoromethanesulfonamide
CID 59046683
N,N-Diethyl-1,1,1-trifluoromethanesulfonamide
CID 17751979
N-diethyldifluoromethanesulfonamide
CID 58436046
Triethyl(trifluoromethylsulfonyl)azanium;trifluoromethanesulfonate
CID 134917356
[N-(diethylsulfamoyl)-S-(difluoromethyl)sulfonimidoyl] hypofluorite
CID 20705428
[S-(difluoromethyl)-N-[ethyl(methyl)sulfamoyl]sulfonimidoyl] hypofluorite
CID 20705457
(Difluoro-lambda4-sulfanylidene)-diethylazanium;trifluoromethanesulfonate
CID 46221211
N,N-dibutyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide
CID 58961887
1,1-difluoro-1-oxidoperoxysulfanyl-N,N-di(propan-2-yl)methanesulfonamide
CID 58962012
1,1-difluoro-N,N-di(propan-2-yl)-1-(trioxidanylsulfanyl)methanesulfonamide
CID 58962013
N,N-diethyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide
CID 58962014
[Ethyl(methyl)sulfamoyl]-(trifluoromethylsulfonyl)azanide
CID 59046682

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide?
The IUPAC name of N,N-diethyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide (CID 58962015) is N,N-diethyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide.
What is the SMILES notation for N,N-diethyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide?
The canonical SMILES for N,N-diethyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide is CCN(CC)S(=O)(=O)C(F)(F)SOOO.
What is the InChIKey of N,N-diethyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide?
The InChIKey is XRFYVRFVUZNEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NO5S2/c1-3-8(4-2)15(10,11)5(6,7)14-13-12-9/h9H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide?
N,N-diethyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide has a molecular weight of 267.27 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide is sourced from PubChem (CID 58962015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).