(3E)-N-methyl-3-[(2-methyl-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide

C19H17N3O3S — CID 69344265

IUPAC(3E)-N-methyl-3-[(2-methyl-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)/C(=C\c1c(C)[nH]c3ccccc13)C(=O)N2
InChIInChI=1S/C19H17N3O3S/c1-11-14(13-5-3-4-6-17(13)21-11)10-16-15-9-12(26(24,25)20-2)7-8-18(15)22-19(16)23/h3-10,20-21H,1-2H3,(H,22,23)/b16-10+
InChIKeyQTCBPPNNWAPLJC-MHWRWJLKSA-N
MW367.43 g/mol
LogP2.88
Rot. Bonds3

About (3E)-N-methyl-3-[(2-methyl-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide

(3E)-N-methyl-3-[(2-methyl-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide (PubChem CID 69344265) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is (3E)-N-methyl-3-[(2-methyl-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name(3E)-N-methyl-3-[(2-methyl-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
PubChem CID69344265
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name(3E)-N-methyl-3-[(2-methyl-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)/C(=C\c1c(C)[nH]c3ccccc13)C(=O)N2
InChIInChI=1S/C19H17N3O3S/c1-11-14(13-5-3-4-6-17(13)21-11)10-16-15-9-12(26(24,25)20-2)7-8-18(15)22-19(16)23/h3-10,20-21H,1-2H3,(H,22,23)/b16-10+
InChIKeyQTCBPPNNWAPLJC-MHWRWJLKSA-N
XLogP2.88
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 (3E)-N-methyl-3-[(2-methyl-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
The IUPAC name of (3E)-N-methyl-3-[(2-methyl-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide (CID 69344265) is (3E)-N-methyl-3-[(2-methyl-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide.
What is the SMILES notation for (3E)-N-methyl-3-[(2-methyl-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
The canonical SMILES for (3E)-N-methyl-3-[(2-methyl-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide is CNS(=O)(=O)c1ccc2c(c1)/C(=C\c1c(C)[nH]c3ccccc13)C(=O)N2.
What is the InChIKey of (3E)-N-methyl-3-[(2-methyl-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
The InChIKey is QTCBPPNNWAPLJC-MHWRWJLKSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-11-14(13-5-3-4-6-17(13)21-11)10-16-15-9-12(26(24,25)20-2)7-8-18(15)22-19(16)23/h3-10,20-21H,1-2H3,(H,22,23)/b16-10+.
What are the key properties of (3E)-N-methyl-3-[(2-methyl-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
(3E)-N-methyl-3-[(2-methyl-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide has a molecular weight of 367.43 g/mol, XLogP of 2.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-methyl-3-[(2-methyl-1H-indol-3-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 69344265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).