(3Z)-3-(1H-indol-3-ylmethylidene)-2-oxo-1H-indole-5-sulfonamide

C17H13N3O3S — CID 22978714

IUPAC(3Z)-3-(1H-indol-3-ylmethylidene)-2-oxo-1H-indole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)/C(=C/c1c[nH]c3ccccc13)C(=O)N2
InChIInChI=1S/C17H13N3O3S/c18-24(22,23)11-5-6-16-13(8-11)14(17(21)20-16)7-10-9-19-15-4-2-1-3-12(10)15/h1-9,19H,(H,20,21)(H2,18,22,23)/b14-7-
InChIKeyAFTGOSQNWXOYGE-AUWJEWJLSA-N
MW339.38 g/mol
LogP2.31
Rot. Bonds2

About (3Z)-3-(1H-indol-3-ylmethylidene)-2-oxo-1H-indole-5-sulfonamide

(3Z)-3-(1H-indol-3-ylmethylidene)-2-oxo-1H-indole-5-sulfonamide (PubChem CID 22978714) has the molecular formula C17H13N3O3S and a molecular weight of 339.38 g/mol. Its IUPAC name is (3Z)-3-(1H-indol-3-ylmethylidene)-2-oxo-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name(3Z)-3-(1H-indol-3-ylmethylidene)-2-oxo-1H-indole-5-sulfonamide
PubChem CID22978714
Molecular FormulaC17H13N3O3S
Molecular Weight339.38 g/mol
Exact Mass339.07
IUPAC Name(3Z)-3-(1H-indol-3-ylmethylidene)-2-oxo-1H-indole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)/C(=C/c1c[nH]c3ccccc13)C(=O)N2
InChIInChI=1S/C17H13N3O3S/c18-24(22,23)11-5-6-16-13(8-11)14(17(21)20-16)7-10-9-19-15-4-2-1-3-12(10)15/h1-9,19H,(H,20,21)(H2,18,22,23)/b14-7-
InChIKeyAFTGOSQNWXOYGE-AUWJEWJLSA-N
XLogP2.31
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.31
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 (3Z)-3-(1H-indol-3-ylmethylidene)-2-oxo-1H-indole-5-sulfonamide?
The IUPAC name of (3Z)-3-(1H-indol-3-ylmethylidene)-2-oxo-1H-indole-5-sulfonamide (CID 22978714) is (3Z)-3-(1H-indol-3-ylmethylidene)-2-oxo-1H-indole-5-sulfonamide.
What is the SMILES notation for (3Z)-3-(1H-indol-3-ylmethylidene)-2-oxo-1H-indole-5-sulfonamide?
The canonical SMILES for (3Z)-3-(1H-indol-3-ylmethylidene)-2-oxo-1H-indole-5-sulfonamide is NS(=O)(=O)c1ccc2c(c1)/C(=C/c1c[nH]c3ccccc13)C(=O)N2.
What is the InChIKey of (3Z)-3-(1H-indol-3-ylmethylidene)-2-oxo-1H-indole-5-sulfonamide?
The InChIKey is AFTGOSQNWXOYGE-AUWJEWJLSA-N. The full InChI is InChI=1S/C17H13N3O3S/c18-24(22,23)11-5-6-16-13(8-11)14(17(21)20-16)7-10-9-19-15-4-2-1-3-12(10)15/h1-9,19H,(H,20,21)(H2,18,22,23)/b14-7-.
What are the key properties of (3Z)-3-(1H-indol-3-ylmethylidene)-2-oxo-1H-indole-5-sulfonamide?
(3Z)-3-(1H-indol-3-ylmethylidene)-2-oxo-1H-indole-5-sulfonamide has a molecular weight of 339.38 g/mol, XLogP of 2.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(1H-indol-3-ylmethylidene)-2-oxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 22978714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).