3-[(2,5-dibromophenyl)sulfonylamino]pyrazine-2-carboxylic acid

C11H7Br2N3O4S — CID 63260183

IUPAC3-[(2,5-dibromophenyl)sulfonylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C11H7Br2N3O4S/c12-6-1-2-7(13)8(5-6)21(19,20)16-10-9(11(17)18)14-3-4-15-10/h1-5H,(H,15,16)(H,17,18)
InChIKeyNZQOGTZJQIKASS-UHFFFAOYSA-N
MW437.07 g/mol
LogP2.50
Rot. Bonds4

About 3-[(2,5-dibromophenyl)sulfonylamino]pyrazine-2-carboxylic acid

3-[(2,5-dibromophenyl)sulfonylamino]pyrazine-2-carboxylic acid (PubChem CID 63260183) has the molecular formula C11H7Br2N3O4S and a molecular weight of 437.07 g/mol. Its IUPAC name is 3-[(2,5-dibromophenyl)sulfonylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2,5-dibromophenyl)sulfonylamino]pyrazine-2-carboxylic acid
PubChem CID63260183
Molecular FormulaC11H7Br2N3O4S
Molecular Weight437.07 g/mol
Exact Mass434.85
IUPAC Name3-[(2,5-dibromophenyl)sulfonylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C11H7Br2N3O4S/c12-6-1-2-7(13)8(5-6)21(19,20)16-10-9(11(17)18)14-3-4-15-10/h1-5H,(H,15,16)(H,17,18)
InChIKeyNZQOGTZJQIKASS-UHFFFAOYSA-N
XLogP2.50
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.07
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dibromophenyl)sulfonylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(2,5-dibromophenyl)sulfonylamino]pyrazine-2-carboxylic acid (CID 63260183) is 3-[(2,5-dibromophenyl)sulfonylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(2,5-dibromophenyl)sulfonylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(2,5-dibromophenyl)sulfonylamino]pyrazine-2-carboxylic acid is O=C(O)c1nccnc1NS(=O)(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 3-[(2,5-dibromophenyl)sulfonylamino]pyrazine-2-carboxylic acid?
The InChIKey is NZQOGTZJQIKASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2N3O4S/c12-6-1-2-7(13)8(5-6)21(19,20)16-10-9(11(17)18)14-3-4-15-10/h1-5H,(H,15,16)(H,17,18).
What are the key properties of 3-[(2,5-dibromophenyl)sulfonylamino]pyrazine-2-carboxylic acid?
3-[(2,5-dibromophenyl)sulfonylamino]pyrazine-2-carboxylic acid has a molecular weight of 437.07 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dibromophenyl)sulfonylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 63260183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).