N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)ethanesulfonamide

C8H16F3NO2S — CID 87159674

IUPACN-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC(C(C)(C)C)C(F)(F)F
InChIInChI=1S/C8H16F3NO2S/c1-5-15(13,14)12-6(7(2,3)4)8(9,10)11/h6,12H,5H2,1-4H3
InChIKeyNAFWRYZAROFXOZ-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.90
Rot. Bonds3

About N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)ethanesulfonamide

N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)ethanesulfonamide (PubChem CID 87159674) has the molecular formula C8H16F3NO2S and a molecular weight of 247.28 g/mol. Its IUPAC name is N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)ethanesulfonamide
PubChem CID87159674
Molecular FormulaC8H16F3NO2S
Molecular Weight247.28 g/mol
Exact Mass247.09
IUPAC NameN-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC(C(C)(C)C)C(F)(F)F
InChIInChI=1S/C8H16F3NO2S/c1-5-15(13,14)12-6(7(2,3)4)8(9,10)11/h6,12H,5H2,1-4H3
InChIKeyNAFWRYZAROFXOZ-UHFFFAOYSA-N
XLogP1.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)ethanesulfonamide?
The IUPAC name of N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)ethanesulfonamide (CID 87159674) is N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)ethanesulfonamide.
What is the SMILES notation for N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)ethanesulfonamide?
The canonical SMILES for N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)ethanesulfonamide is CCS(=O)(=O)NC(C(C)(C)C)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)ethanesulfonamide?
The InChIKey is NAFWRYZAROFXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2S/c1-5-15(13,14)12-6(7(2,3)4)8(9,10)11/h6,12H,5H2,1-4H3.
What are the key properties of N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)ethanesulfonamide?
N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)ethanesulfonamide has a molecular weight of 247.28 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)ethanesulfonamide is sourced from PubChem (CID 87159674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).