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

C13H10N4O4S — CID 71602538

IUPAC4-[(5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CN2C(=O)c3nccnc3C2=O)cc1
InChIInChI=1S/C13H10N4O4S/c14-22(20,21)9-3-1-8(2-4-9)7-17-12(18)10-11(13(17)19)16-6-5-15-10/h1-6H,7H2,(H2,14,20,21)
InChIKeyRDIYOFSCIVXRIX-UHFFFAOYSA-N
MW318.31 g/mol
LogP-0.08
Rot. Bonds3

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

4-[(5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl)methyl]benzenesulfonamide (PubChem CID 71602538) has the molecular formula C13H10N4O4S and a molecular weight of 318.31 g/mol. Its IUPAC name is 4-[(5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl)methyl]benzenesulfonamide
PubChem CID71602538
Molecular FormulaC13H10N4O4S
Molecular Weight318.31 g/mol
Exact Mass318.04
IUPAC Name4-[(5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CN2C(=O)c3nccnc3C2=O)cc1
InChIInChI=1S/C13H10N4O4S/c14-22(20,21)9-3-1-8(2-4-9)7-17-12(18)10-11(13(17)19)16-6-5-15-10/h1-6H,7H2,(H2,14,20,21)
InChIKeyRDIYOFSCIVXRIX-UHFFFAOYSA-N
XLogP-0.08
TPSA123.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
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)methyl]benzenesulfonamide?
The IUPAC name of 4-[(5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl)methyl]benzenesulfonamide (CID 71602538) is 4-[(5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-[(5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-[(5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl)methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CN2C(=O)c3nccnc3C2=O)cc1.
What is the InChIKey of 4-[(5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl)methyl]benzenesulfonamide?
The InChIKey is RDIYOFSCIVXRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O4S/c14-22(20,21)9-3-1-8(2-4-9)7-17-12(18)10-11(13(17)19)16-6-5-15-10/h1-6H,7H2,(H2,14,20,21).
What are the key properties of 4-[(5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl)methyl]benzenesulfonamide?
4-[(5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl)methyl]benzenesulfonamide has a molecular weight of 318.31 g/mol, XLogP of -0.08, 3 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)methyl]benzenesulfonamide is sourced from PubChem (CID 71602538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).