N-(2,2,2-trifluoroethyl)ethanesulfonamide

C4H8F3NO2S — CID 60650267

IUPACN-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C4H8F3NO2S/c1-2-11(9,10)8-3-4(5,6)7/h8H,2-3H2,1H3
InChIKeyXLHZGMBCDYRMQT-UHFFFAOYSA-N
MW191.17 g/mol
LogP0.49
Rot. Bonds3

About N-(2,2,2-trifluoroethyl)ethanesulfonamide

N-(2,2,2-trifluoroethyl)ethanesulfonamide (PubChem CID 60650267) has the molecular formula C4H8F3NO2S and a molecular weight of 191.17 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)ethanesulfonamide
PubChem CID60650267
Molecular FormulaC4H8F3NO2S
Molecular Weight191.17 g/mol
Exact Mass191.02
IUPAC NameN-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C4H8F3NO2S/c1-2-11(9,10)8-3-4(5,6)7/h8H,2-3H2,1H3
InChIKeyXLHZGMBCDYRMQT-UHFFFAOYSA-N
XLogP0.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.17
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethylethane-1-sulfonamide
CID 3302035
3,3,3-trifluoro-N-methylpropane-1-sulfonamide
CID 88571719
N-Ethylperfluoroethanesulfonamide
CID 44717412
N-(2,2-difluoropropyl)methanesulfonamide
CID 18686371
2,2,2-trifluoro-N-methylethanesulfonamide
CID 20718422
N-ethyl-2,2,2-trifluoroethanesulfonamide
CID 20718448
N-(2,2-dimethylpropyl)-2,2,2-trifluoroethanesulfonamide
CID 21027126
N-(2,2,2-trifluoroethyl)butane-2-sulfonamide
CID 21029736
N-propylperfluorobutanesulfonamide
CID 22169334
2,2,2-trifluoro-1-N,1-N'-dimethylethane-1,1-disulfonamide
CID 22967974
2-amino-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 24691755
1,1-difluoro-N-propylmethanesulfonamide
CID 43258994

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)ethanesulfonamide (CID 60650267) is N-(2,2,2-trifluoroethyl)ethanesulfonamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)ethanesulfonamide is CCS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The InChIKey is XLHZGMBCDYRMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO2S/c1-2-11(9,10)8-3-4(5,6)7/h8H,2-3H2,1H3.
What are the key properties of N-(2,2,2-trifluoroethyl)ethanesulfonamide?
N-(2,2,2-trifluoroethyl)ethanesulfonamide has a molecular weight of 191.17 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)ethanesulfonamide is sourced from PubChem (CID 60650267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).