N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide

C7H14F3NO3S — CID 64584768

IUPACN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C7H14F3NO3S/c1-2-5-15(13,14)11(3-4-12)6-7(8,9)10/h12H,2-6H2,1H3
InChIKeyDJCJPXKZKAIJKM-UHFFFAOYSA-N
MW249.25 g/mol
LogP0.58
Rot. Bonds6

About N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide

N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide (PubChem CID 64584768) has the molecular formula C7H14F3NO3S and a molecular weight of 249.25 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
PubChem CID64584768
Molecular FormulaC7H14F3NO3S
Molecular Weight249.25 g/mol
Exact Mass249.06
IUPAC NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C7H14F3NO3S/c1-2-5-15(13,14)11(3-4-12)6-7(8,9)10/h12H,2-6H2,1H3
InChIKeyDJCJPXKZKAIJKM-UHFFFAOYSA-N
XLogP0.58
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 50.58
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
1,1,2,2,3,3,4,4,4-Nonafluoro-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide
CID 118689
1-Pentanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(2-hydroxyethyl)-
CID 110553
N-Ethyl-pentadecafluoro-N-(2-hydroxyethyl)-1-heptanesulfonamide
CID 110554
Undecafluoro-N-(2-hydroxyethyl)-N-methyl-1-pentanesulfonamide
CID 110555
1-Hexanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(2-hydroxyethyl)-N-methyl-
CID 110556
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
Tridecafluoro-N-(2-hydroxyethyl)-N-propylhexanesulphonamide
CID 3020879
3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-N-(2-hydroxyethyl)-N-methyl-1-octanesulfonamide
CID 138394918
1,1,2,3,3,3-Hexafluoro-N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)propane-1-sulphonamide
CID 3022203
1,1,2,3,3,3-Hexafluoro-N,N-bis(2-hydroxyethyl)-2-(trifluoromethyl)propane-1-sulphonamide
CID 3022204

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide (CID 64584768) is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide is CCCS(=O)(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The InChIKey is DJCJPXKZKAIJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO3S/c1-2-5-15(13,14)11(3-4-12)6-7(8,9)10/h12H,2-6H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide has a molecular weight of 249.25 g/mol, XLogP of 0.58, 6 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)propane-1-sulfonamide is sourced from PubChem (CID 64584768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).