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

C11H8FN3O4S — CID 63259779

IUPAC3-[(2-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C11H8FN3O4S/c12-7-3-1-2-4-8(7)20(18,19)15-10-9(11(16)17)13-5-6-14-10/h1-6H,(H,14,15)(H,16,17)
InChIKeyPIEYBAGWVJBFNS-UHFFFAOYSA-N
MW297.27 g/mol
LogP1.11
Rot. Bonds4

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

3-[(2-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid (PubChem CID 63259779) has the molecular formula C11H8FN3O4S and a molecular weight of 297.27 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid
PubChem CID63259779
Molecular FormulaC11H8FN3O4S
Molecular Weight297.27 g/mol
Exact Mass297.02
IUPAC Name3-[(2-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C11H8FN3O4S/c12-7-3-1-2-4-8(7)20(18,19)15-10-9(11(16)17)13-5-6-14-10/h1-6H,(H,14,15)(H,16,17)
InChIKeyPIEYBAGWVJBFNS-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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Related Compounds

3-[(3-Chloro-2-methylphenyl)sulfonylamino]pyrazine-2-carboxylic acid
CID 63260229
[[amino-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]methylidene]amino] pyrazine-2-carboxylate
CID 57241586
3-(4-Chloro-3-trifluoromethyl-benzenesulfonylamino)-pyrazine-2-carboxylic acid
CID 57942381
[(Z)-[amino-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]methylidene]amino] pyrazine-2-carboxylate
CID 59085903
5-[(3R)-3-carboxy-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrazine-2-carboxylic acid
CID 90909760
3-[Ethyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]pyrazine-2-carboxylic acid
CID 141238517
3-[Ethyl-[[2-fluoro-6-(trifluoromethyl)phenyl]methylsulfonyl]amino]pyrazine-2-carboxylic acid
CID 141326674
3-[Ethyl-[[2-(trifluoromethylsulfanyl)phenyl]methylsulfonyl]amino]pyrazine-2-carboxylic acid
CID 141326683
3-[2,2-Difluoroethyl-[(2-iodophenyl)methylsulfonyl]amino]pyrazine-2-carboxylic acid
CID 141326688
3-[(4-Fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid
CID 63259780
3-[(3-Chloro-2-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid
CID 63259782
3-[(3-Chloro-4-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid
CID 63259825

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(2-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid (CID 63259779) is 3-[(2-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(2-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(2-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid is O=C(O)c1nccnc1NS(=O)(=O)c1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid?
The InChIKey is PIEYBAGWVJBFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O4S/c12-7-3-1-2-4-8(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-[(2-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid?
3-[(2-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-[(2-fluorophenyl)sulfonylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 63259779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).