(3Z)-3-[(5-hydroxy-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide

C17H13N3O4S — CID 140775689

IUPAC(3Z)-3-[(5-hydroxy-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)/C(=C/c1c[nH]c3ccc(O)cc13)C(=O)N2
InChIInChI=1S/C17H13N3O4S/c18-25(23,24)11-2-4-16-13(7-11)14(17(22)20-16)5-9-8-19-15-3-1-10(21)6-12(9)15/h1-8,19,21H,(H,20,22)(H2,18,23,24)/b14-5-
InChIKeyOJWVMXDXXVGCFF-RZNTYIFUSA-N
MW355.38 g/mol
LogP2.01
Rot. Bonds2

About (3Z)-3-[(5-hydroxy-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide

(3Z)-3-[(5-hydroxy-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide (PubChem CID 140775689) has the molecular formula C17H13N3O4S and a molecular weight of 355.38 g/mol. Its IUPAC name is (3Z)-3-[(5-hydroxy-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name(3Z)-3-[(5-hydroxy-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
PubChem CID140775689
Molecular FormulaC17H13N3O4S
Molecular Weight355.38 g/mol
Exact Mass355.06
IUPAC Name(3Z)-3-[(5-hydroxy-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)/C(=C/c1c[nH]c3ccc(O)cc13)C(=O)N2
InChIInChI=1S/C17H13N3O4S/c18-25(23,24)11-2-4-16-13(7-11)14(17(22)20-16)5-9-8-19-15-3-1-10(21)6-12(9)15/h1-8,19,21H,(H,20,22)(H2,18,23,24)/b14-5-
InChIKeyOJWVMXDXXVGCFF-RZNTYIFUSA-N
XLogP2.01
TPSA125.28 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 52.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_L(4)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(5-hydroxy-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
The IUPAC name of (3Z)-3-[(5-hydroxy-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide (CID 140775689) is (3Z)-3-[(5-hydroxy-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide.
What is the SMILES notation for (3Z)-3-[(5-hydroxy-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
The canonical SMILES for (3Z)-3-[(5-hydroxy-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide is NS(=O)(=O)c1ccc2c(c1)/C(=C/c1c[nH]c3ccc(O)cc13)C(=O)N2.
What is the InChIKey of (3Z)-3-[(5-hydroxy-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
The InChIKey is OJWVMXDXXVGCFF-RZNTYIFUSA-N. The full InChI is InChI=1S/C17H13N3O4S/c18-25(23,24)11-2-4-16-13(7-11)14(17(22)20-16)5-9-8-19-15-3-1-10(21)6-12(9)15/h1-8,19,21H,(H,20,22)(H2,18,23,24)/b14-5-.
What are the key properties of (3Z)-3-[(5-hydroxy-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
(3Z)-3-[(5-hydroxy-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide has a molecular weight of 355.38 g/mol, XLogP of 2.01, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(5-hydroxy-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 140775689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).