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

C3H7F2NO5S2 — CID 59833728

IUPAC1,1-difluoro-N,N-dimethyl-1-(trioxidanylsulfanyl)methanesulfonamide
SMILESCN(C)S(=O)(=O)C(F)(F)SOOO
InChIInChI=1S/C3H7F2NO5S2/c1-6(2)13(8,9)3(4,5)12-11-10-7/h7H,1-2H3
InChIKeyGWTSXMAYAGUCFV-UHFFFAOYSA-N
MW239.22 g/mol
LogP0.50
Rot. Bonds5

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

1,1-difluoro-N,N-dimethyl-1-(trioxidanylsulfanyl)methanesulfonamide (PubChem CID 59833728) has the molecular formula C3H7F2NO5S2 and a molecular weight of 239.22 g/mol. Its IUPAC name is 1,1-difluoro-N,N-dimethyl-1-(trioxidanylsulfanyl)methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N,N-dimethyl-1-(trioxidanylsulfanyl)methanesulfonamide
PubChem CID59833728
Molecular FormulaC3H7F2NO5S2
Molecular Weight239.22 g/mol
Exact Mass238.97
IUPAC Name1,1-difluoro-N,N-dimethyl-1-(trioxidanylsulfanyl)methanesulfonamide
SMILESCN(C)S(=O)(=O)C(F)(F)SOOO
InChIInChI=1S/C3H7F2NO5S2/c1-6(2)13(8,9)3(4,5)12-11-10-7/h7H,1-2H3
InChIKeyGWTSXMAYAGUCFV-UHFFFAOYSA-N
XLogP0.50
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 50.50
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

[difluoro(trioxidanylsulfanyl)methoxy]-difluoromethanesulfonic acid
CID 58819220
2-(dimethylsulfamoyl)-2,2-difluoro-N,N-dimethylacetamide
CID 121234956
N,N-dimethylmethanamine;silicon(4+);trifluoromethanesulfonate
CID 171924337
1,1,1,2,2,3,4,4,4-nonafluoro-3-(trioxidanylsulfanyl)butane
CID 59383760
N,N-dimethylmethanamine;silicic acid;trifluoromethanesulfonic acid
CID 174409588
1,1,2,2-tetrafluoro-2-[4-oxo-4-[1,1,2,2-tetrafluoro-2-(trioxidanylsulfanyl)ethoxy]butanoyl]oxyethanesulfonic acid
CID 58616413
1,1,1-trifluoro-N-methyl-N-propa-1,2-dienylmethanesulfonamide
CID 139243670
(5-methoxy-2-bicyclo[2.2.1]heptanyl) 2,2-difluoro-2-(trioxidanylsulfanyl)acetate
CID 58881576
1,1,2,2,3,3,4,4-octafluoro-4-oxidoperoxysulfanylbutane-1-sulfonic acid
CID 58795331
lithium N,N-bis(trifluoromethylsulfonyl)sulfamate
CID 153347503
1-[1,1,2,2,3,3-hexafluoro-3-(trioxidanylsulfanyl)propyl]sulfonyl-4-piperidin-1-ylpiperidine
CID 89349426
2-[4,7-diethyl-1,1,2,2,9,9,10,10-octafluoro-10-[1,1,2,2-tetrafluoro-2-(trioxidanylsulfanyl)ethoxy]decoxy]-1,1,2,2-tetrafluoroethanesulfonic acid
CID 58616475

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N,N-dimethyl-1-(trioxidanylsulfanyl)methanesulfonamide?
The IUPAC name of 1,1-difluoro-N,N-dimethyl-1-(trioxidanylsulfanyl)methanesulfonamide (CID 59833728) is 1,1-difluoro-N,N-dimethyl-1-(trioxidanylsulfanyl)methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N,N-dimethyl-1-(trioxidanylsulfanyl)methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N,N-dimethyl-1-(trioxidanylsulfanyl)methanesulfonamide is CN(C)S(=O)(=O)C(F)(F)SOOO.
What is the InChIKey of 1,1-difluoro-N,N-dimethyl-1-(trioxidanylsulfanyl)methanesulfonamide?
The InChIKey is GWTSXMAYAGUCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7F2NO5S2/c1-6(2)13(8,9)3(4,5)12-11-10-7/h7H,1-2H3.
What are the key properties of 1,1-difluoro-N,N-dimethyl-1-(trioxidanylsulfanyl)methanesulfonamide?
1,1-difluoro-N,N-dimethyl-1-(trioxidanylsulfanyl)methanesulfonamide has a molecular weight of 239.22 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N,N-dimethyl-1-(trioxidanylsulfanyl)methanesulfonamide is sourced from PubChem (CID 59833728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).