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

C17H15N3O5S — CID 5331082

IUPAC(3Z)-N-methyl-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-1H-indole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]cc3c1CCOC3=O)C(=O)N2
InChIInChI=1S/C17H15N3O5S/c1-18-26(23,24)9-2-3-14-11(6-9)12(16(21)20-14)7-15-10-4-5-25-17(22)13(10)8-19-15/h2-3,6-8,18-19H,4-5H2,1H3,(H,20,21)/b12-7-
InChIKeyLMHJODWZPPIPQX-GHXNOFRVSA-N
MW373.39 g/mol
LogP1.13
Rot. Bonds3

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

(3Z)-N-methyl-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-1H-indole-5-sulfonamide (PubChem CID 5331082) has the molecular formula C17H15N3O5S and a molecular weight of 373.39 g/mol. Its IUPAC name is (3Z)-N-methyl-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name(3Z)-N-methyl-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-1H-indole-5-sulfonamide
PubChem CID5331082
Molecular FormulaC17H15N3O5S
Molecular Weight373.39 g/mol
Exact Mass373.07
IUPAC Name(3Z)-N-methyl-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-1H-indole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]cc3c1CCOC3=O)C(=O)N2
InChIInChI=1S/C17H15N3O5S/c1-18-26(23,24)9-2-3-14-11(6-9)12(16(21)20-14)7-15-10-4-5-25-17(22)13(10)8-19-15/h2-3,6-8,18-19H,4-5H2,1H3,(H,20,21)/b12-7-
InChIKeyLMHJODWZPPIPQX-GHXNOFRVSA-N
XLogP1.13
TPSA117.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-methyl-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-1H-indole-5-sulfonamide?
The IUPAC name of (3Z)-N-methyl-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-1H-indole-5-sulfonamide (CID 5331082) is (3Z)-N-methyl-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-1H-indole-5-sulfonamide.
What is the SMILES notation for (3Z)-N-methyl-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-1H-indole-5-sulfonamide?
The canonical SMILES for (3Z)-N-methyl-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-1H-indole-5-sulfonamide is CNS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]cc3c1CCOC3=O)C(=O)N2.
What is the InChIKey of (3Z)-N-methyl-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-1H-indole-5-sulfonamide?
The InChIKey is LMHJODWZPPIPQX-GHXNOFRVSA-N. The full InChI is InChI=1S/C17H15N3O5S/c1-18-26(23,24)9-2-3-14-11(6-9)12(16(21)20-14)7-15-10-4-5-25-17(22)13(10)8-19-15/h2-3,6-8,18-19H,4-5H2,1H3,(H,20,21)/b12-7-.
What are the key properties of (3Z)-N-methyl-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-1H-indole-5-sulfonamide?
(3Z)-N-methyl-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-1H-indole-5-sulfonamide has a molecular weight of 373.39 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-methyl-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-1H-indole-5-sulfonamide is sourced from PubChem (CID 5331082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).