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

C5H10F3NO2S — CID 61355197

IUPACN-methyl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(C)CC(F)(F)F
InChIInChI=1S/C5H10F3NO2S/c1-3-12(10,11)9(2)4-5(6,7)8/h3-4H2,1-2H3
InChIKeyYJFBJBTZRUUOCV-UHFFFAOYSA-N
MW205.20 g/mol
LogP0.83
Rot. Bonds3

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

N-methyl-N-(2,2,2-trifluoroethyl)ethanesulfonamide (PubChem CID 61355197) has the molecular formula C5H10F3NO2S and a molecular weight of 205.20 g/mol. Its IUPAC name is N-methyl-N-(2,2,2-trifluoroethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
PubChem CID61355197
Molecular FormulaC5H10F3NO2S
Molecular Weight205.20 g/mol
Exact Mass205.04
IUPAC NameN-methyl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(C)CC(F)(F)F
InChIInChI=1S/C5H10F3NO2S/c1-3-12(10,11)9(2)4-5(6,7)8/h3-4H2,1-2H3
InChIKeyYJFBJBTZRUUOCV-UHFFFAOYSA-N
XLogP0.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)ethanesulfonamide (CID 61355197) is N-methyl-N-(2,2,2-trifluoroethyl)ethanesulfonamide.
What is the SMILES notation for N-methyl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The canonical SMILES for N-methyl-N-(2,2,2-trifluoroethyl)ethanesulfonamide is CCS(=O)(=O)N(C)CC(F)(F)F.
What is the InChIKey of N-methyl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The InChIKey is YJFBJBTZRUUOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO2S/c1-3-12(10,11)9(2)4-5(6,7)8/h3-4H2,1-2H3.
What are the key properties of N-methyl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
N-methyl-N-(2,2,2-trifluoroethyl)ethanesulfonamide has a molecular weight of 205.20 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,2,2-trifluoroethyl)ethanesulfonamide is sourced from PubChem (CID 61355197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).