N-(1,1,1-trifluorobutan-2-yl)ethanesulfonamide

C6H12F3NO2S — CID 87160176

IUPACN-(1,1,1-trifluorobutan-2-yl)ethanesulfonamide
SMILESCCC(NS(=O)(=O)CC)C(F)(F)F
InChIInChI=1S/C6H12F3NO2S/c1-3-5(6(7,8)9)10-13(11,12)4-2/h5,10H,3-4H2,1-2H3
InChIKeyRNIABZSSSWBJSR-UHFFFAOYSA-N
MW219.23 g/mol
LogP1.27
Rot. Bonds4

About N-(1,1,1-trifluorobutan-2-yl)ethanesulfonamide

N-(1,1,1-trifluorobutan-2-yl)ethanesulfonamide (PubChem CID 87160176) has the molecular formula C6H12F3NO2S and a molecular weight of 219.23 g/mol. Its IUPAC name is N-(1,1,1-trifluorobutan-2-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1,1,1-trifluorobutan-2-yl)ethanesulfonamide
PubChem CID87160176
Molecular FormulaC6H12F3NO2S
Molecular Weight219.23 g/mol
Exact Mass219.05
IUPAC NameN-(1,1,1-trifluorobutan-2-yl)ethanesulfonamide
SMILESCCC(NS(=O)(=O)CC)C(F)(F)F
InChIInChI=1S/C6H12F3NO2S/c1-3-5(6(7,8)9)10-13(11,12)4-2/h5,10H,3-4H2,1-2H3
InChIKeyRNIABZSSSWBJSR-UHFFFAOYSA-N
XLogP1.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-N-methylpropane-1-sulfonamide
CID 88571719
2-amino-3,3,3-trifluoro-N,N-dimethylpropane-1-sulfonamide
CID 119030899
1,1,1-trifluoro-N-pentan-3-ylmethanesulfonamide
CID 166445234
N-butan-2-yl-1,1,1-trifluoromethanesulfonamide
CID 14663477
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
n-(3,3-Difluoro-cyclobutyl)-methanesulfonamide
CID 22500956
Isopropyl(trifluoromethylsulfonyl)amine
CID 22908457
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-(1,1,1-trifluorobutan-2-yl)ethanesulfonamide?
The IUPAC name of N-(1,1,1-trifluorobutan-2-yl)ethanesulfonamide (CID 87160176) is N-(1,1,1-trifluorobutan-2-yl)ethanesulfonamide.
What is the SMILES notation for N-(1,1,1-trifluorobutan-2-yl)ethanesulfonamide?
The canonical SMILES for N-(1,1,1-trifluorobutan-2-yl)ethanesulfonamide is CCC(NS(=O)(=O)CC)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluorobutan-2-yl)ethanesulfonamide?
The InChIKey is RNIABZSSSWBJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO2S/c1-3-5(6(7,8)9)10-13(11,12)4-2/h5,10H,3-4H2,1-2H3.
What are the key properties of N-(1,1,1-trifluorobutan-2-yl)ethanesulfonamide?
N-(1,1,1-trifluorobutan-2-yl)ethanesulfonamide has a molecular weight of 219.23 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1-trifluorobutan-2-yl)ethanesulfonamide is sourced from PubChem (CID 87160176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).