N-ethylsulfonyl-2,2,2-trifluoroethanesulfonamide

C4H8F3NO4S2 — CID 58352252

IUPACN-ethylsulfonyl-2,2,2-trifluoroethanesulfonamide
SMILESCCS(=O)(=O)NS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C4H8F3NO4S2/c1-2-13(9,10)8-14(11,12)3-4(5,6)7/h8H,2-3H2,1H3
InChIKeyHCMYJDJADREYFV-UHFFFAOYSA-N
MW255.24 g/mol
LogP-0.18
Rot. Bonds4

About N-ethylsulfonyl-2,2,2-trifluoroethanesulfonamide

N-ethylsulfonyl-2,2,2-trifluoroethanesulfonamide (PubChem CID 58352252) has the molecular formula C4H8F3NO4S2 and a molecular weight of 255.24 g/mol. Its IUPAC name is N-ethylsulfonyl-2,2,2-trifluoroethanesulfonamide.

Molecular Properties

Compound NameN-ethylsulfonyl-2,2,2-trifluoroethanesulfonamide
PubChem CID58352252
Molecular FormulaC4H8F3NO4S2
Molecular Weight255.24 g/mol
Exact Mass254.98
IUPAC NameN-ethylsulfonyl-2,2,2-trifluoroethanesulfonamide
SMILESCCS(=O)(=O)NS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C4H8F3NO4S2/c1-2-13(9,10)8-14(11,12)3-4(5,6)7/h8H,2-3H2,1H3
InChIKeyHCMYJDJADREYFV-UHFFFAOYSA-N
XLogP-0.18
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,4,4-Trifluorobutane-1-sulfonamide
CID 22725686
3,3-Difluorobutane-1-sulfonamide
CID 130657266
4,4-Difluoropentane-1-sulfonamide
CID 132312933
Ethanesulfonamide, N-(ethylsulfonyl)-
CID 18430544
N-(trifluoromethylsulfonyl)ethanesulfonamide
CID 18352286
N-[S-butyl-N-(trifluoromethylsulfonyl)sulfonimidoyl]-1,1,1-trifluoromethanesulfonamide
CID 20577524
[N-butylsulfonyl-S-(difluoromethyl)sulfonimidoyl] hypofluorite
CID 20705425
[S-(difluoromethyl)-N-(1-fluorobutan-2-ylsulfonyl)sulfonimidoyl] hypofluorite
CID 20705431
2,2,2-trifluoro-N-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide
CID 22061690
2,2,2-Trifluoroethane-1,1-disulfonamide
CID 22967973
2,2,2-trifluoro-1-N,1-N'-dimethylethane-1,1-disulfonamide
CID 22967974
1,2,2,2-tetrafluoro-N-(1,2,2,2-tetrafluoroethylsulfonyl)ethanesulfonamide
CID 53348267

Frequently Asked Questions

What is the IUPAC name of N-ethylsulfonyl-2,2,2-trifluoroethanesulfonamide?
The IUPAC name of N-ethylsulfonyl-2,2,2-trifluoroethanesulfonamide (CID 58352252) is N-ethylsulfonyl-2,2,2-trifluoroethanesulfonamide.
What is the SMILES notation for N-ethylsulfonyl-2,2,2-trifluoroethanesulfonamide?
The canonical SMILES for N-ethylsulfonyl-2,2,2-trifluoroethanesulfonamide is CCS(=O)(=O)NS(=O)(=O)CC(F)(F)F.
What is the InChIKey of N-ethylsulfonyl-2,2,2-trifluoroethanesulfonamide?
The InChIKey is HCMYJDJADREYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO4S2/c1-2-13(9,10)8-14(11,12)3-4(5,6)7/h8H,2-3H2,1H3.
What are the key properties of N-ethylsulfonyl-2,2,2-trifluoroethanesulfonamide?
N-ethylsulfonyl-2,2,2-trifluoroethanesulfonamide has a molecular weight of 255.24 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylsulfonyl-2,2,2-trifluoroethanesulfonamide is sourced from PubChem (CID 58352252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).