2,2,2-trifluoro-1-pyrimidin-4-ylethanesulfonamide

C6H6F3N3O2S — CID 114827675

IUPAC2,2,2-trifluoro-1-pyrimidin-4-ylethanesulfonamide
SMILESNS(=O)(=O)C(c1ccncn1)C(F)(F)F
InChIInChI=1S/C6H6F3N3O2S/c7-6(8,9)5(15(10,13)14)4-1-2-11-3-12-4/h1-3,5H,(H2,10,13,14)
InChIKeyOGOWLEPUNVRABS-UHFFFAOYSA-N
MW241.19 g/mol
LogP0.37
Rot. Bonds2

About 2,2,2-trifluoro-1-pyrimidin-4-ylethanesulfonamide

2,2,2-trifluoro-1-pyrimidin-4-ylethanesulfonamide (PubChem CID 114827675) has the molecular formula C6H6F3N3O2S and a molecular weight of 241.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-pyrimidin-4-ylethanesulfonamide.

Molecular Properties

Compound Name2,2,2-trifluoro-1-pyrimidin-4-ylethanesulfonamide
PubChem CID114827675
Molecular FormulaC6H6F3N3O2S
Molecular Weight241.19 g/mol
Exact Mass241.01
IUPAC Name2,2,2-trifluoro-1-pyrimidin-4-ylethanesulfonamide
SMILESNS(=O)(=O)C(c1ccncn1)C(F)(F)F
InChIInChI=1S/C6H6F3N3O2S/c7-6(8,9)5(15(10,13)14)4-1-2-11-3-12-4/h1-3,5H,(H2,10,13,14)
InChIKeyOGOWLEPUNVRABS-UHFFFAOYSA-N
XLogP0.37
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-pyrimidin-4-ylethanesulfonamide?
The IUPAC name of 2,2,2-trifluoro-1-pyrimidin-4-ylethanesulfonamide (CID 114827675) is 2,2,2-trifluoro-1-pyrimidin-4-ylethanesulfonamide.
What is the SMILES notation for 2,2,2-trifluoro-1-pyrimidin-4-ylethanesulfonamide?
The canonical SMILES for 2,2,2-trifluoro-1-pyrimidin-4-ylethanesulfonamide is NS(=O)(=O)C(c1ccncn1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-pyrimidin-4-ylethanesulfonamide?
The InChIKey is OGOWLEPUNVRABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O2S/c7-6(8,9)5(15(10,13)14)4-1-2-11-3-12-4/h1-3,5H,(H2,10,13,14).
What are the key properties of 2,2,2-trifluoro-1-pyrimidin-4-ylethanesulfonamide?
2,2,2-trifluoro-1-pyrimidin-4-ylethanesulfonamide has a molecular weight of 241.19 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-pyrimidin-4-ylethanesulfonamide is sourced from PubChem (CID 114827675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).