1,1,1-trifluoro-N-(2,5,6-trifluoropyrimidin-4-yl)methanesulfonamide

C5HF6N3O2S — CID 19751754

IUPAC1,1,1-trifluoro-N-(2,5,6-trifluoropyrimidin-4-yl)methanesulfonamide
SMILESO=S(=O)(Nc1nc(F)nc(F)c1F)C(F)(F)F
InChIInChI=1S/C5HF6N3O2S/c6-1-2(7)12-4(8)13-3(1)14-17(15,16)5(9,10)11/h(H,12,13,14)
InChIKeyOECKVRYIFCYBOI-UHFFFAOYSA-N
MW281.14 g/mol
LogP1.16
Rot. Bonds2

About 1,1,1-trifluoro-N-(2,5,6-trifluoropyrimidin-4-yl)methanesulfonamide

1,1,1-trifluoro-N-(2,5,6-trifluoropyrimidin-4-yl)methanesulfonamide (PubChem CID 19751754) has the molecular formula C5HF6N3O2S and a molecular weight of 281.14 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(2,5,6-trifluoropyrimidin-4-yl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(2,5,6-trifluoropyrimidin-4-yl)methanesulfonamide
PubChem CID19751754
Molecular FormulaC5HF6N3O2S
Molecular Weight281.14 g/mol
Exact Mass280.97
IUPAC Name1,1,1-trifluoro-N-(2,5,6-trifluoropyrimidin-4-yl)methanesulfonamide
SMILESO=S(=O)(Nc1nc(F)nc(F)c1F)C(F)(F)F
InChIInChI=1S/C5HF6N3O2S/c6-1-2(7)12-4(8)13-3(1)14-17(15,16)5(9,10)11/h(H,12,13,14)
InChIKeyOECKVRYIFCYBOI-UHFFFAOYSA-N
XLogP1.16
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(2,5,6-trifluoropyrimidin-4-yl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(2,5,6-trifluoropyrimidin-4-yl)methanesulfonamide (CID 19751754) is 1,1,1-trifluoro-N-(2,5,6-trifluoropyrimidin-4-yl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(2,5,6-trifluoropyrimidin-4-yl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(2,5,6-trifluoropyrimidin-4-yl)methanesulfonamide is O=S(=O)(Nc1nc(F)nc(F)c1F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(2,5,6-trifluoropyrimidin-4-yl)methanesulfonamide?
The InChIKey is OECKVRYIFCYBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF6N3O2S/c6-1-2(7)12-4(8)13-3(1)14-17(15,16)5(9,10)11/h(H,12,13,14).
What are the key properties of 1,1,1-trifluoro-N-(2,5,6-trifluoropyrimidin-4-yl)methanesulfonamide?
1,1,1-trifluoro-N-(2,5,6-trifluoropyrimidin-4-yl)methanesulfonamide has a molecular weight of 281.14 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(2,5,6-trifluoropyrimidin-4-yl)methanesulfonamide is sourced from PubChem (CID 19751754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).