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

C13H10N4O4S — CID 10663338

IUPAC4-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NN2C(=O)c3cccnc3C2=O)cc1
InChIInChI=1S/C13H10N4O4S/c14-22(20,21)9-5-3-8(4-6-9)16-17-12(18)10-2-1-7-15-11(10)13(17)19/h1-7,16H,(H2,14,20,21)
InChIKeySCWCDACSVVCEME-UHFFFAOYSA-N
MW318.31 g/mol
LogP0.35
Rot. Bonds3

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

4-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)amino]benzenesulfonamide (PubChem CID 10663338) 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]pyridin-6-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)amino]benzenesulfonamide
PubChem CID10663338
Molecular FormulaC13H10N4O4S
Molecular Weight318.31 g/mol
Exact Mass318.04
IUPAC Name4-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NN2C(=O)c3cccnc3C2=O)cc1
InChIInChI=1S/C13H10N4O4S/c14-22(20,21)9-5-3-8(4-6-9)16-17-12(18)10-2-1-7-15-11(10)13(17)19/h1-7,16H,(H2,14,20,21)
InChIKeySCWCDACSVVCEME-UHFFFAOYSA-N
XLogP0.35
TPSA122.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(5,7-Dioxopyrrolo[3,4-b]pyrazin-6-yl)benzenesulfonamide
CID 71602539
4-(5,7-Dioxo-5,7-dihydro-pyrrolo[3,4-b]pyridin-6-yl)-benzenesulfonamide
CID 1234749
N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
CID 2316496
4-(5,7-Dioxo-5,7-dihydro-pyrrolo[3,4-b]pyridin-6-yl)-3-fluoro-benzenesulfonamide
CID 10543744
3-Bromo-4-(5,7-dioxo-5,7-dihydro-pyrrolo[3,4-b]pyridin-6-yl)-benzenesulfonamide
CID 10596042
2-(5,7-Dioxo-5,7-dihydro-pyrrolo[3,4-b]pyridin-6-yl)-benzenesulfonamide
CID 10685830
4-[2-(5,7-Dioxo-5,7-dihydro-pyrrolo[3,4-b]pyridin-6-yl)-ethyl]-benzenesulfonamide
CID 10782719
3-(5,7-Dioxo-5,7-dihydro-pyrrolo[3,4-b]pyridin-6-yl)-benzenesulfonamide
CID 10804376
3-Chloro-4-(5,7-dioxo-5,7-dihydro-pyrrolo[3,4-b]pyridin-6-yl)-benzenesulfonamide
CID 10806893
4-(5,7-Dioxo-5,7-dihydro-pyrrolo[3,4-b]pyridin-6-yl)-3-iodo-benzenesulfonamide
CID 10812489
4-(5,7-Dioxo-5,7-dihydro-pyrrolo[3,4-b]pyridin-6-ylmethyl)-benzenesulfonamide
CID 10852944
6-{4-[(3-methylpiperidin-1-yl)sulfonyl]benzyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
CID 20914270

Frequently Asked Questions

What is the IUPAC name of 4-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)amino]benzenesulfonamide (CID 10663338) is 4-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)amino]benzenesulfonamide is NS(=O)(=O)c1ccc(NN2C(=O)c3cccnc3C2=O)cc1.
What is the InChIKey of 4-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)amino]benzenesulfonamide?
The InChIKey is SCWCDACSVVCEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O4S/c14-22(20,21)9-5-3-8(4-6-9)16-17-12(18)10-2-1-7-15-11(10)13(17)19/h1-7,16H,(H2,14,20,21).
What are the key properties of 4-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)amino]benzenesulfonamide?
4-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)amino]benzenesulfonamide has a molecular weight of 318.31 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)amino]benzenesulfonamide is sourced from PubChem (CID 10663338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).