(3Z)-N-methyl-2-oxo-3-[(4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-1-yl)methylidene]-1H-indole-5-sulfonamide

About (3Z)-N-methyl-2-oxo-3-[(4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-1-yl)methylidene]-1H-indole-5-sulfonamide

(3Z)-N-methyl-2-oxo-3-[(4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-1-yl)methylidene]-1H-indole-5-sulfonamide (PubChem CID 5331096) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is (3Z)-N-methyl-2-oxo-3-[(4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-1-yl)methylidene]-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name	(3Z)-N-methyl-2-oxo-3-[(4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-1-yl)methylidene]-1H-indole-5-sulfonamide
PubChem CID	5331096
Molecular Formula	C17H16N4O4S
Molecular Weight	372.41 g/mol
Exact Mass	372.09
IUPAC Name	(3Z)-N-methyl-2-oxo-3-[(4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-1-yl)methylidene]-1H-indole-5-sulfonamide
SMILES	CNS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]cc3c1CCNC3=O)C(=O)N2
InChI	InChI=1S/C17H16N4O4S/c1-18-26(24,25)9-2-3-14-11(6-9)12(17(23)21-14)7-15-10-4-5-19-16(22)13(10)8-20-15/h2-3,6-8,18,20H,4-5H2,1H3,(H,19,22)(H,21,23)/b12-7-
InChIKey	WMQIUOQRRYSKMG-GHXNOFRVSA-N
XLogP	0.70
TPSA	120.16 Å²
H-Bond Donors	4
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	26
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.41
LogP ≤ 5	0.70
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-methyl-2-oxo-3-[(4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-1-yl)methylidene]-1H-indole-5-sulfonamide?

The IUPAC name of (3Z)-N-methyl-2-oxo-3-[(4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-1-yl)methylidene]-1H-indole-5-sulfonamide (CID 5331096) is (3Z)-N-methyl-2-oxo-3-[(4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-1-yl)methylidene]-1H-indole-5-sulfonamide.

What is the SMILES notation for (3Z)-N-methyl-2-oxo-3-[(4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-1-yl)methylidene]-1H-indole-5-sulfonamide?

The canonical SMILES for (3Z)-N-methyl-2-oxo-3-[(4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-1-yl)methylidene]-1H-indole-5-sulfonamide is CNS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]cc3c1CCNC3=O)C(=O)N2.

What is the InChIKey of (3Z)-N-methyl-2-oxo-3-[(4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-1-yl)methylidene]-1H-indole-5-sulfonamide?

The InChIKey is WMQIUOQRRYSKMG-GHXNOFRVSA-N. The full InChI is InChI=1S/C17H16N4O4S/c1-18-26(24,25)9-2-3-14-11(6-9)12(17(23)21-14)7-15-10-4-5-19-16(22)13(10)8-20-15/h2-3,6-8,18,20H,4-5H2,1H3,(H,19,22)(H,21,23)/b12-7-.

What are the key properties of (3Z)-N-methyl-2-oxo-3-[(4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-1-yl)methylidene]-1H-indole-5-sulfonamide?

(3Z)-N-methyl-2-oxo-3-[(4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-1-yl)methylidene]-1H-indole-5-sulfonamide has a molecular weight of 372.41 g/mol, XLogP of 0.70, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3Z)-N-methyl-2-oxo-3-[(4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-1-yl)methylidene]-1H-indole-5-sulfonamide is sourced from PubChem (CID 5331096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).