3-[(4-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid

C11H8FN3O4S — CID 63259780

IUPAC3-[(4-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H8FN3O4S/c12-7-1-3-8(4-2-7)20(18,19)15-10-9(11(16)17)13-5-6-14-10/h1-6H,(H,14,15)(H,16,17)
InChIKeyXGFBWLQZTYGLRD-UHFFFAOYSA-N
MW297.27 g/mol
LogP1.11
Rot. Bonds4

About 3-[(4-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid

3-[(4-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid (PubChem CID 63259780) has the molecular formula C11H8FN3O4S and a molecular weight of 297.27 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid
PubChem CID63259780
Molecular FormulaC11H8FN3O4S
Molecular Weight297.27 g/mol
Exact Mass297.02
IUPAC Name3-[(4-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H8FN3O4S/c12-7-1-3-8(4-2-7)20(18,19)15-10-9(11(16)17)13-5-6-14-10/h1-6H,(H,14,15)(H,16,17)
InChIKeyXGFBWLQZTYGLRD-UHFFFAOYSA-N
XLogP1.11
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid (CID 63259780) is 3-[(4-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(4-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid is O=C(O)c1nccnc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid?
The InChIKey is XGFBWLQZTYGLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O4S/c12-7-1-3-8(4-2-7)20(18,19)15-10-9(11(16)17)13-5-6-14-10/h1-6H,(H,14,15)(H,16,17).
What are the key properties of 3-[(4-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid?
3-[(4-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid has a molecular weight of 297.27 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 63259780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).