1,1-difluoro-1-oxidoperoxysulfanyl-N,N-di(propan-2-yl)methanesulfonamide

C7H14F2NO5S2- — CID 58962012

IUPAC1,1-difluoro-1-oxidoperoxysulfanyl-N,N-di(propan-2-yl)methanesulfonamide
SMILESCC(C)N(C(C)C)S(=O)(=O)C(F)(F)SOO[O-]
InChIInChI=1S/C7H15F2NO5S2/c1-5(2)10(6(3)4)17(12,13)7(8,9)16-15-14-11/h5-6,11H,1-4H3/p-1
InChIKeyVQSOKXXOHLOLHW-UHFFFAOYSA-M
MW294.32 g/mol
LogP0.86
Rot. Bonds7

About 1,1-difluoro-1-oxidoperoxysulfanyl-N,N-di(propan-2-yl)methanesulfonamide

1,1-difluoro-1-oxidoperoxysulfanyl-N,N-di(propan-2-yl)methanesulfonamide (PubChem CID 58962012) has the molecular formula C7H14F2NO5S2- and a molecular weight of 294.32 g/mol. Its IUPAC name is 1,1-difluoro-1-oxidoperoxysulfanyl-N,N-di(propan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-1-oxidoperoxysulfanyl-N,N-di(propan-2-yl)methanesulfonamide
PubChem CID58962012
Molecular FormulaC7H14F2NO5S2-
Molecular Weight294.32 g/mol
Exact Mass294.03
IUPAC Name1,1-difluoro-1-oxidoperoxysulfanyl-N,N-di(propan-2-yl)methanesulfonamide
SMILESCC(C)N(C(C)C)S(=O)(=O)C(F)(F)SOO[O-]
InChIInChI=1S/C7H15F2NO5S2/c1-5(2)10(6(3)4)17(12,13)7(8,9)16-15-14-11/h5-6,11H,1-4H3/p-1
InChIKeyVQSOKXXOHLOLHW-UHFFFAOYSA-M
XLogP0.86
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 50.86
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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Related Compounds

1,1,1-trifluoro-N-methyl-N-propan-2-ylmethanesulfonamide
CID 14663454
1,1,1-trifluoro-N,N-di(propan-2-yl)methanesulfonamide
CID 17751980
N-(2,2-difluoroethyl)-N-propan-2-ylmethanesulfonamide
CID 57908245
1,1-difluoro-N,N-di(propan-2-yl)methanesulfonamide
CID 58435937
1,1-difluoro-N,N-di(propan-2-yl)-1-(trioxidanylsulfanyl)methanesulfonamide
CID 58962013
N,N-diethyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide
CID 58962014
N,N-diethyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide
CID 58962015
Dipropylsulfamoyl(trifluoromethylsulfonyl)azanide
CID 59046693
Diethylsulfamoyl(trifluoromethylsulfonyl)azanide
CID 59046740
N-propan-2-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 64586295
Di(propan-2-yl)sulfamoyl-difluoromethanesulfonic acid
CID 88487534
N-butan-2-yl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 126606279

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-1-oxidoperoxysulfanyl-N,N-di(propan-2-yl)methanesulfonamide?
The IUPAC name of 1,1-difluoro-1-oxidoperoxysulfanyl-N,N-di(propan-2-yl)methanesulfonamide (CID 58962012) is 1,1-difluoro-1-oxidoperoxysulfanyl-N,N-di(propan-2-yl)methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-1-oxidoperoxysulfanyl-N,N-di(propan-2-yl)methanesulfonamide?
The canonical SMILES for 1,1-difluoro-1-oxidoperoxysulfanyl-N,N-di(propan-2-yl)methanesulfonamide is CC(C)N(C(C)C)S(=O)(=O)C(F)(F)SOO[O-].
What is the InChIKey of 1,1-difluoro-1-oxidoperoxysulfanyl-N,N-di(propan-2-yl)methanesulfonamide?
The InChIKey is VQSOKXXOHLOLHW-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H15F2NO5S2/c1-5(2)10(6(3)4)17(12,13)7(8,9)16-15-14-11/h5-6,11H,1-4H3/p-1.
What are the key properties of 1,1-difluoro-1-oxidoperoxysulfanyl-N,N-di(propan-2-yl)methanesulfonamide?
1,1-difluoro-1-oxidoperoxysulfanyl-N,N-di(propan-2-yl)methanesulfonamide has a molecular weight of 294.32 g/mol, XLogP of 0.86, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-oxidoperoxysulfanyl-N,N-di(propan-2-yl)methanesulfonamide is sourced from PubChem (CID 58962012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).