3-(difluoromethylsulfonylamino)pyrazine-2-carboxylic acid

C6H5F2N3O4S — CID 63260052

IUPAC3-(difluoromethylsulfonylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NS(=O)(=O)C(F)F
InChIInChI=1S/C6H5F2N3O4S/c7-6(8)16(14,15)11-4-3(5(12)13)9-1-2-10-4/h1-2,6H,(H,10,11)(H,12,13)
InChIKeyFWUKFBKXKMHARR-UHFFFAOYSA-N
MW253.19 g/mol
LogP0.14
Rot. Bonds4

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

3-(difluoromethylsulfonylamino)pyrazine-2-carboxylic acid (PubChem CID 63260052) has the molecular formula C6H5F2N3O4S and a molecular weight of 253.19 g/mol. Its IUPAC name is 3-(difluoromethylsulfonylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(difluoromethylsulfonylamino)pyrazine-2-carboxylic acid
PubChem CID63260052
Molecular FormulaC6H5F2N3O4S
Molecular Weight253.19 g/mol
Exact Mass253.00
IUPAC Name3-(difluoromethylsulfonylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NS(=O)(=O)C(F)F
InChIInChI=1S/C6H5F2N3O4S/c7-6(8)16(14,15)11-4-3(5(12)13)9-1-2-10-4/h1-2,6H,(H,10,11)(H,12,13)
InChIKeyFWUKFBKXKMHARR-UHFFFAOYSA-N
XLogP0.14
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.19
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylsulfonylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(difluoromethylsulfonylamino)pyrazine-2-carboxylic acid (CID 63260052) is 3-(difluoromethylsulfonylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(difluoromethylsulfonylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(difluoromethylsulfonylamino)pyrazine-2-carboxylic acid is O=C(O)c1nccnc1NS(=O)(=O)C(F)F.
What is the InChIKey of 3-(difluoromethylsulfonylamino)pyrazine-2-carboxylic acid?
The InChIKey is FWUKFBKXKMHARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2N3O4S/c7-6(8)16(14,15)11-4-3(5(12)13)9-1-2-10-4/h1-2,6H,(H,10,11)(H,12,13).
What are the key properties of 3-(difluoromethylsulfonylamino)pyrazine-2-carboxylic acid?
3-(difluoromethylsulfonylamino)pyrazine-2-carboxylic acid has a molecular weight of 253.19 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylsulfonylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 63260052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).