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

C19H17N3O4S — CID 10000020

IUPAC(3Z)-3-[(5-methoxy-1-methylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
SMILESCOc1ccc2c(c1)c(/C=C1\C(=O)Nc3ccc(S(N)(=O)=O)cc31)cn2C
InChIInChI=1S/C19H17N3O4S/c1-22-10-11(14-8-12(26-2)3-6-18(14)22)7-16-15-9-13(27(20,24)25)4-5-17(15)21-19(16)23/h3-10H,1-2H3,(H,21,23)(H2,20,24,25)/b16-7-
InChIKeyGNCKEUJKZQDWAH-APSNUPSMSA-N
MW383.43 g/mol
LogP2.33
Rot. Bonds3

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

(3Z)-3-[(5-methoxy-1-methylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide (PubChem CID 10000020) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is (3Z)-3-[(5-methoxy-1-methylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name(3Z)-3-[(5-methoxy-1-methylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
PubChem CID10000020
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC Name(3Z)-3-[(5-methoxy-1-methylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
SMILESCOc1ccc2c(c1)c(/C=C1\C(=O)Nc3ccc(S(N)(=O)=O)cc31)cn2C
InChIInChI=1S/C19H17N3O4S/c1-22-10-11(14-8-12(26-2)3-6-18(14)22)7-16-15-9-13(27(20,24)25)4-5-17(15)21-19(16)23/h3-10H,1-2H3,(H,21,23)(H2,20,24,25)/b16-7-
InChIKeyGNCKEUJKZQDWAH-APSNUPSMSA-N
XLogP2.33
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.33
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-methoxy-1-methylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
The IUPAC name of (3Z)-3-[(5-methoxy-1-methylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide (CID 10000020) is (3Z)-3-[(5-methoxy-1-methylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide.
What is the SMILES notation for (3Z)-3-[(5-methoxy-1-methylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
The canonical SMILES for (3Z)-3-[(5-methoxy-1-methylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide is COc1ccc2c(c1)c(/C=C1\C(=O)Nc3ccc(S(N)(=O)=O)cc31)cn2C.
What is the InChIKey of (3Z)-3-[(5-methoxy-1-methylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
The InChIKey is GNCKEUJKZQDWAH-APSNUPSMSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-22-10-11(14-8-12(26-2)3-6-18(14)22)7-16-15-9-13(27(20,24)25)4-5-17(15)21-19(16)23/h3-10H,1-2H3,(H,21,23)(H2,20,24,25)/b16-7-.
What are the key properties of (3Z)-3-[(5-methoxy-1-methylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
(3Z)-3-[(5-methoxy-1-methylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide has a molecular weight of 383.43 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(5-methoxy-1-methylindol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 10000020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).