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

C4H8F3NO3S — CID 156771285

IUPAC2,2,2-trifluoro-N-(2-hydroxyethyl)ethanesulfonamide
SMILESO=S(=O)(CC(F)(F)F)NCCO
InChIInChI=1S/C4H8F3NO3S/c5-4(6,7)3-12(10,11)8-1-2-9/h8-9H,1-3H2
InChIKeyQDWKWMZZPZZIDO-UHFFFAOYSA-N
MW207.17 g/mol
LogP-0.54
Rot. Bonds4

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

2,2,2-trifluoro-N-(2-hydroxyethyl)ethanesulfonamide (PubChem CID 156771285) has the molecular formula C4H8F3NO3S and a molecular weight of 207.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-hydroxyethyl)ethanesulfonamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-hydroxyethyl)ethanesulfonamide
PubChem CID156771285
Molecular FormulaC4H8F3NO3S
Molecular Weight207.17 g/mol
Exact Mass207.02
IUPAC Name2,2,2-trifluoro-N-(2-hydroxyethyl)ethanesulfonamide
SMILESO=S(=O)(CC(F)(F)F)NCCO
InChIInChI=1S/C4H8F3NO3S/c5-4(6,7)3-12(10,11)8-1-2-9/h8-9H,1-3H2
InChIKeyQDWKWMZZPZZIDO-UHFFFAOYSA-N
XLogP-0.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.17
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-hydroxyethyl)ethanesulfonamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-hydroxyethyl)ethanesulfonamide (CID 156771285) is 2,2,2-trifluoro-N-(2-hydroxyethyl)ethanesulfonamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-hydroxyethyl)ethanesulfonamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-hydroxyethyl)ethanesulfonamide is O=S(=O)(CC(F)(F)F)NCCO.
What is the InChIKey of 2,2,2-trifluoro-N-(2-hydroxyethyl)ethanesulfonamide?
The InChIKey is QDWKWMZZPZZIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO3S/c5-4(6,7)3-12(10,11)8-1-2-9/h8-9H,1-3H2.
What are the key properties of 2,2,2-trifluoro-N-(2-hydroxyethyl)ethanesulfonamide?
2,2,2-trifluoro-N-(2-hydroxyethyl)ethanesulfonamide has a molecular weight of 207.17 g/mol, XLogP of -0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-hydroxyethyl)ethanesulfonamide is sourced from PubChem (CID 156771285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).