N,N-diethyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide

C5H10F2NO5S2- — CID 58962014

IUPACN,N-diethyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide
SMILESCCN(CC)S(=O)(=O)C(F)(F)SOO[O-]
InChIInChI=1S/C5H11F2NO5S2/c1-3-8(4-2)15(10,11)5(6,7)14-13-12-9/h9H,3-4H2,1-2H3/p-1
InChIKeyXRFYVRFVUZNEQG-UHFFFAOYSA-M
MW266.27 g/mol
LogP0.08
Rot. Bonds7

About N,N-diethyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide

N,N-diethyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide (PubChem CID 58962014) has the molecular formula C5H10F2NO5S2- and a molecular weight of 266.27 g/mol. Its IUPAC name is N,N-diethyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide
PubChem CID58962014
Molecular FormulaC5H10F2NO5S2-
Molecular Weight266.27 g/mol
Exact Mass266.00
IUPAC NameN,N-diethyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide
SMILESCCN(CC)S(=O)(=O)C(F)(F)SOO[O-]
InChIInChI=1S/C5H11F2NO5S2/c1-3-8(4-2)15(10,11)5(6,7)14-13-12-9/h9H,3-4H2,1-2H3/p-1
InChIKeyXRFYVRFVUZNEQG-UHFFFAOYSA-M
XLogP0.08
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 50.08
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide?
The IUPAC name of N,N-diethyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide (CID 58962014) is N,N-diethyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide.
What is the SMILES notation for N,N-diethyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide?
The canonical SMILES for N,N-diethyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide is CCN(CC)S(=O)(=O)C(F)(F)SOO[O-].
What is the InChIKey of N,N-diethyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide?
The InChIKey is XRFYVRFVUZNEQG-UHFFFAOYSA-M. 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/p-1.
What are the key properties of N,N-diethyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide?
N,N-diethyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide has a molecular weight of 266.27 g/mol, XLogP of 0.08, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide is sourced from PubChem (CID 58962014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).