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

C6H12F3NO3S — CID 64584574

IUPACN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C6H12F3NO3S/c1-2-14(12,13)10(3-4-11)5-6(7,8)9/h11H,2-5H2,1H3
InChIKeyLIRGUBQQBJIIBV-UHFFFAOYSA-N
MW235.23 g/mol
LogP0.19
Rot. Bonds5

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

N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide (PubChem CID 64584574) has the molecular formula C6H12F3NO3S and a molecular weight of 235.23 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
PubChem CID64584574
Molecular FormulaC6H12F3NO3S
Molecular Weight235.23 g/mol
Exact Mass235.05
IUPAC NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C6H12F3NO3S/c1-2-14(12,13)10(3-4-11)5-6(7,8)9/h11H,2-5H2,1H3
InChIKeyLIRGUBQQBJIIBV-UHFFFAOYSA-N
XLogP0.19
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,2,2,3,3,4,4,4-Nonafluoro-N-(2-hydroxyethyl)-N-methylbutane-1-sulphonamide
CID 118688
1-Pentanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-hydroxyethyl)-
CID 110553
1-Butanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxyethyl)-
CID 118686
N-Ethyltridecafluoro-N-(2-hydroxyethyl)hexanesulphonamide
CID 118690
1,1,2,3,3,3-Hexafluoro-N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)propane-1-sulphonamide
CID 3022203
1,1,2,2,3,3,4,4-Octafluoro-N-(2-hydroxyethyl)-N-methylbutane-1-sulphonamide
CID 3022847
N-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]cyclopropanesulfonamide
CID 164640993
N-ethyl-1,1,2,2,2-pentafluoro-N-(2-hydroxyethyl)ethanesulfonamide
CID 17990763
Fluoro-(2-hydroxyethyl)-methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)azanium
CID 21612225
1,1,1-trifluoro-N-(2-hydroxyethyl)-N-methylmethanesulfonamide
CID 60961276
C2F5SO2N(CH3)CH2CH2OH
CID 86057590
1,1,2,2,3,3,3-heptafluoro-N-(2-hydroxyethyl)-N-methylpropane-1-sulfonamide
CID 87491031

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide (CID 64584574) is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide is CCS(=O)(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The InChIKey is LIRGUBQQBJIIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO3S/c1-2-14(12,13)10(3-4-11)5-6(7,8)9/h11H,2-5H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide has a molecular weight of 235.23 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide is sourced from PubChem (CID 64584574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).