4-(5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl)benzenesulfonamide

C12H8N4O4S — CID 71602539

IUPAC4-(5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)c3nccnc3C2=O)cc1
InChIInChI=1S/C12H8N4O4S/c13-21(19,20)8-3-1-7(2-4-8)16-11(17)9-10(12(16)18)15-6-5-14-9/h1-6H,(H2,13,19,20)
InChIKeyWFYXAVWBBGFCFS-UHFFFAOYSA-N
MW304.29 g/mol
LogP-0.08
Rot. Bonds2

About 4-(5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl)benzenesulfonamide

4-(5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl)benzenesulfonamide (PubChem CID 71602539) has the molecular formula C12H8N4O4S and a molecular weight of 304.29 g/mol. Its IUPAC name is 4-(5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl)benzenesulfonamide
PubChem CID71602539
Molecular FormulaC12H8N4O4S
Molecular Weight304.29 g/mol
Exact Mass304.03
IUPAC Name4-(5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)c3nccnc3C2=O)cc1
InChIInChI=1S/C12H8N4O4S/c13-21(19,20)8-3-1-7(2-4-8)16-11(17)9-10(12(16)18)15-6-5-14-9/h1-6H,(H2,13,19,20)
InChIKeyWFYXAVWBBGFCFS-UHFFFAOYSA-N
XLogP-0.08
TPSA123.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl)benzenesulfonamide?
The IUPAC name of 4-(5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl)benzenesulfonamide (CID 71602539) is 4-(5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-(5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl)benzenesulfonamide?
The canonical SMILES for 4-(5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(N2C(=O)c3nccnc3C2=O)cc1.
What is the InChIKey of 4-(5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl)benzenesulfonamide?
The InChIKey is WFYXAVWBBGFCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O4S/c13-21(19,20)8-3-1-7(2-4-8)16-11(17)9-10(12(16)18)15-6-5-14-9/h1-6H,(H2,13,19,20).
What are the key properties of 4-(5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl)benzenesulfonamide?
4-(5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl)benzenesulfonamide has a molecular weight of 304.29 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl)benzenesulfonamide is sourced from PubChem (CID 71602539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).