3-(trifluoromethylsulfonylamino)pyrazine-2-carboxylic acid

C6H4F3N3O4S — CID 63259740

IUPAC3-(trifluoromethylsulfonylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H4F3N3O4S/c7-6(8,9)17(15,16)12-4-3(5(13)14)10-1-2-11-4/h1-2H,(H,11,12)(H,13,14)
InChIKeyUXAXRZWFLYPMFC-UHFFFAOYSA-N
MW271.18 g/mol
LogP0.44
Rot. Bonds3

About 3-(trifluoromethylsulfonylamino)pyrazine-2-carboxylic acid

3-(trifluoromethylsulfonylamino)pyrazine-2-carboxylic acid (PubChem CID 63259740) has the molecular formula C6H4F3N3O4S and a molecular weight of 271.18 g/mol. Its IUPAC name is 3-(trifluoromethylsulfonylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(trifluoromethylsulfonylamino)pyrazine-2-carboxylic acid
PubChem CID63259740
Molecular FormulaC6H4F3N3O4S
Molecular Weight271.18 g/mol
Exact Mass270.99
IUPAC Name3-(trifluoromethylsulfonylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H4F3N3O4S/c7-6(8,9)17(15,16)12-4-3(5(13)14)10-1-2-11-4/h1-2H,(H,11,12)(H,13,14)
InChIKeyUXAXRZWFLYPMFC-UHFFFAOYSA-N
XLogP0.44
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.18
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethylsulfonylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(trifluoromethylsulfonylamino)pyrazine-2-carboxylic acid (CID 63259740) is 3-(trifluoromethylsulfonylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(trifluoromethylsulfonylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(trifluoromethylsulfonylamino)pyrazine-2-carboxylic acid is O=C(O)c1nccnc1NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 3-(trifluoromethylsulfonylamino)pyrazine-2-carboxylic acid?
The InChIKey is UXAXRZWFLYPMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N3O4S/c7-6(8,9)17(15,16)12-4-3(5(13)14)10-1-2-11-4/h1-2H,(H,11,12)(H,13,14).
What are the key properties of 3-(trifluoromethylsulfonylamino)pyrazine-2-carboxylic acid?
3-(trifluoromethylsulfonylamino)pyrazine-2-carboxylic acid has a molecular weight of 271.18 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethylsulfonylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 63259740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).