N,1,1,1-tetrafluoro-N-(3,5,6-trifluoropyrazin-2-yl)methanesulfonamide

C5F7N3O2S — CID 19751752

IUPACN,1,1,1-tetrafluoro-N-(3,5,6-trifluoropyrazin-2-yl)methanesulfonamide
SMILESO=S(=O)(N(F)c1nc(F)c(F)nc1F)C(F)(F)F
InChIInChI=1S/C5F7N3O2S/c6-1-2(7)14-4(3(8)13-1)15(12)18(16,17)5(9,10)11
InChIKeyYJIAXHNSVYFVNM-UHFFFAOYSA-N
MW299.13 g/mol
LogP1.43
Rot. Bonds2

About N,1,1,1-tetrafluoro-N-(3,5,6-trifluoropyrazin-2-yl)methanesulfonamide

N,1,1,1-tetrafluoro-N-(3,5,6-trifluoropyrazin-2-yl)methanesulfonamide (PubChem CID 19751752) has the molecular formula C5F7N3O2S and a molecular weight of 299.13 g/mol. Its IUPAC name is N,1,1,1-tetrafluoro-N-(3,5,6-trifluoropyrazin-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN,1,1,1-tetrafluoro-N-(3,5,6-trifluoropyrazin-2-yl)methanesulfonamide
PubChem CID19751752
Molecular FormulaC5F7N3O2S
Molecular Weight299.13 g/mol
Exact Mass298.96
IUPAC NameN,1,1,1-tetrafluoro-N-(3,5,6-trifluoropyrazin-2-yl)methanesulfonamide
SMILESO=S(=O)(N(F)c1nc(F)c(F)nc1F)C(F)(F)F
InChIInChI=1S/C5F7N3O2S/c6-1-2(7)14-4(3(8)13-1)15(12)18(16,17)5(9,10)11
InChIKeyYJIAXHNSVYFVNM-UHFFFAOYSA-N
XLogP1.43
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,1,1,1-tetrafluoro-N-(3,5,6-trifluoropyrazin-2-yl)methanesulfonamide?
The IUPAC name of N,1,1,1-tetrafluoro-N-(3,5,6-trifluoropyrazin-2-yl)methanesulfonamide (CID 19751752) is N,1,1,1-tetrafluoro-N-(3,5,6-trifluoropyrazin-2-yl)methanesulfonamide.
What is the SMILES notation for N,1,1,1-tetrafluoro-N-(3,5,6-trifluoropyrazin-2-yl)methanesulfonamide?
The canonical SMILES for N,1,1,1-tetrafluoro-N-(3,5,6-trifluoropyrazin-2-yl)methanesulfonamide is O=S(=O)(N(F)c1nc(F)c(F)nc1F)C(F)(F)F.
What is the InChIKey of N,1,1,1-tetrafluoro-N-(3,5,6-trifluoropyrazin-2-yl)methanesulfonamide?
The InChIKey is YJIAXHNSVYFVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F7N3O2S/c6-1-2(7)14-4(3(8)13-1)15(12)18(16,17)5(9,10)11.
What are the key properties of N,1,1,1-tetrafluoro-N-(3,5,6-trifluoropyrazin-2-yl)methanesulfonamide?
N,1,1,1-tetrafluoro-N-(3,5,6-trifluoropyrazin-2-yl)methanesulfonamide has a molecular weight of 299.13 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,1,1-tetrafluoro-N-(3,5,6-trifluoropyrazin-2-yl)methanesulfonamide is sourced from PubChem (CID 19751752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).