(3Z)-3-[(5-hydroxy-1-methylindol-3-yl)methylidene]-N,N-dimethyl-2-oxo-1H-indole-5-sulfonamide

C20H19N3O4S — CID 140775688

IUPAC(3Z)-3-[(5-hydroxy-1-methylindol-3-yl)methylidene]-N,N-dimethyl-2-oxo-1H-indole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/c1cn(C)c3ccc(O)cc13)C(=O)N2
InChIInChI=1S/C20H19N3O4S/c1-22(2)28(26,27)14-5-6-18-16(10-14)17(20(25)21-18)8-12-11-23(3)19-7-4-13(24)9-15(12)19/h4-11,24H,1-3H3,(H,21,25)/b17-8-
InChIKeyJNYJJXLTWZLGQH-IUXPMGMMSA-N
MW397.46 g/mol
LogP2.63
Rot. Bonds3

About (3Z)-3-[(5-hydroxy-1-methylindol-3-yl)methylidene]-N,N-dimethyl-2-oxo-1H-indole-5-sulfonamide

(3Z)-3-[(5-hydroxy-1-methylindol-3-yl)methylidene]-N,N-dimethyl-2-oxo-1H-indole-5-sulfonamide (PubChem CID 140775688) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is (3Z)-3-[(5-hydroxy-1-methylindol-3-yl)methylidene]-N,N-dimethyl-2-oxo-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name(3Z)-3-[(5-hydroxy-1-methylindol-3-yl)methylidene]-N,N-dimethyl-2-oxo-1H-indole-5-sulfonamide
PubChem CID140775688
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name(3Z)-3-[(5-hydroxy-1-methylindol-3-yl)methylidene]-N,N-dimethyl-2-oxo-1H-indole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/c1cn(C)c3ccc(O)cc13)C(=O)N2
InChIInChI=1S/C20H19N3O4S/c1-22(2)28(26,27)14-5-6-18-16(10-14)17(20(25)21-18)8-12-11-23(3)19-7-4-13(24)9-15(12)19/h4-11,24H,1-3H3,(H,21,25)/b17-8-
InChIKeyJNYJJXLTWZLGQH-IUXPMGMMSA-N
XLogP2.63
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-1-methylindol-3-yl)methylidene]-N,N-dimethyl-2-oxo-1H-indole-5-sulfonamide?
The IUPAC name of (3Z)-3-[(5-hydroxy-1-methylindol-3-yl)methylidene]-N,N-dimethyl-2-oxo-1H-indole-5-sulfonamide (CID 140775688) is (3Z)-3-[(5-hydroxy-1-methylindol-3-yl)methylidene]-N,N-dimethyl-2-oxo-1H-indole-5-sulfonamide.
What is the SMILES notation for (3Z)-3-[(5-hydroxy-1-methylindol-3-yl)methylidene]-N,N-dimethyl-2-oxo-1H-indole-5-sulfonamide?
The canonical SMILES for (3Z)-3-[(5-hydroxy-1-methylindol-3-yl)methylidene]-N,N-dimethyl-2-oxo-1H-indole-5-sulfonamide is CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/c1cn(C)c3ccc(O)cc13)C(=O)N2.
What is the InChIKey of (3Z)-3-[(5-hydroxy-1-methylindol-3-yl)methylidene]-N,N-dimethyl-2-oxo-1H-indole-5-sulfonamide?
The InChIKey is JNYJJXLTWZLGQH-IUXPMGMMSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-22(2)28(26,27)14-5-6-18-16(10-14)17(20(25)21-18)8-12-11-23(3)19-7-4-13(24)9-15(12)19/h4-11,24H,1-3H3,(H,21,25)/b17-8-.
What are the key properties of (3Z)-3-[(5-hydroxy-1-methylindol-3-yl)methylidene]-N,N-dimethyl-2-oxo-1H-indole-5-sulfonamide?
(3Z)-3-[(5-hydroxy-1-methylindol-3-yl)methylidene]-N,N-dimethyl-2-oxo-1H-indole-5-sulfonamide has a molecular weight of 397.46 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(5-hydroxy-1-methylindol-3-yl)methylidene]-N,N-dimethyl-2-oxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 140775688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).