ethylsulfonyl(2,2,2-trifluoroethylsulfonyl)azanide

C4H7F3NO4S2- — CID 58352251

IUPACethylsulfonyl(2,2,2-trifluoroethylsulfonyl)azanide
SMILESCCS(=O)(=O)[N-]S(=O)(=O)CC(F)(F)F
InChIInChI=1S/C4H7F3NO4S2/c1-2-13(9,10)8-14(11,12)3-4(5,6)7/h2-3H2,1H3/q-1
InChIKeyZBDJHBXMGQFVLL-UHFFFAOYSA-N
MW254.23 g/mol
LogP0.60
Rot. Bonds4

About ethylsulfonyl(2,2,2-trifluoroethylsulfonyl)azanide

ethylsulfonyl(2,2,2-trifluoroethylsulfonyl)azanide (PubChem CID 58352251) has the molecular formula C4H7F3NO4S2- and a molecular weight of 254.23 g/mol. Its IUPAC name is ethylsulfonyl(2,2,2-trifluoroethylsulfonyl)azanide.

Molecular Properties

Compound Nameethylsulfonyl(2,2,2-trifluoroethylsulfonyl)azanide
PubChem CID58352251
Molecular FormulaC4H7F3NO4S2-
Molecular Weight254.23 g/mol
Exact Mass253.98
IUPAC Nameethylsulfonyl(2,2,2-trifluoroethylsulfonyl)azanide
SMILESCCS(=O)(=O)[N-]S(=O)(=O)CC(F)(F)F
InChIInChI=1S/C4H7F3NO4S2/c1-2-13(9,10)8-14(11,12)3-4(5,6)7/h2-3H2,1H3/q-1
InChIKeyZBDJHBXMGQFVLL-UHFFFAOYSA-N
XLogP0.60
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoro-N-methyl-N-(trifluoromethylsulfonyl)ethanesulfonamide
CID 312737
1,1,1-Trifluoro-2-methylsulfanylsulfonylethane
CID 2760708
2,2,2-Trifluoroethylsulfonyl 2,2,2-trifluoroethanesulfonate
CID 12727408
Trifluoromethylsulfonyl ethanesulfonate
CID 15557269
N-(trifluoromethylsulfonyl)ethanesulfonamide
CID 18352286
[N-butylsulfonyl-S-(difluoromethyl)sulfonimidoyl] hypofluorite
CID 20705425
[S-(difluoromethyl)-N-(1-fluorobutan-2-ylsulfonyl)sulfonimidoyl] hypofluorite
CID 20705431
[S-(difluoromethyl)-N-(2,2,2-trifluoroethylsulfonyl)sulfonimidoyl] hypofluorite
CID 20705435
2,2,2-trifluoro-N-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide
CID 22061690
2,2,2-Trifluoroethane-1,1-disulfonamide
CID 22967973
1,2,2,2-tetrafluoro-N-(1,2,2,2-tetrafluoroethylsulfonyl)ethanesulfonamide
CID 53348267
N-(1,1-difluoroethylsulfonyl)-1,1,2,2,2-pentafluoroethanesulfonamide
CID 57983898

Frequently Asked Questions

What is the IUPAC name of ethylsulfonyl(2,2,2-trifluoroethylsulfonyl)azanide?
The IUPAC name of ethylsulfonyl(2,2,2-trifluoroethylsulfonyl)azanide (CID 58352251) is ethylsulfonyl(2,2,2-trifluoroethylsulfonyl)azanide.
What is the SMILES notation for ethylsulfonyl(2,2,2-trifluoroethylsulfonyl)azanide?
The canonical SMILES for ethylsulfonyl(2,2,2-trifluoroethylsulfonyl)azanide is CCS(=O)(=O)[N-]S(=O)(=O)CC(F)(F)F.
What is the InChIKey of ethylsulfonyl(2,2,2-trifluoroethylsulfonyl)azanide?
The InChIKey is ZBDJHBXMGQFVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3NO4S2/c1-2-13(9,10)8-14(11,12)3-4(5,6)7/h2-3H2,1H3/q-1.
What are the key properties of ethylsulfonyl(2,2,2-trifluoroethylsulfonyl)azanide?
ethylsulfonyl(2,2,2-trifluoroethylsulfonyl)azanide has a molecular weight of 254.23 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfonyl(2,2,2-trifluoroethylsulfonyl)azanide is sourced from PubChem (CID 58352251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).