4-[(4Z)-5-oxo-4-[(4-oxochromen-3-yl)methylidene]-2-phenylimidazol-1-yl]-N-pyridin-2-ylbenzenesulfonamide

C30H20N4O5S — CID 118733965

IUPAC4-[(4Z)-5-oxo-4-[(4-oxochromen-3-yl)methylidene]-2-phenylimidazol-1-yl]-N-pyridin-2-ylbenzenesulfonamide
SMILESO=C1/C(=C/c2coc3ccccc3c2=O)N=C(c2ccccc2)N1c1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C30H20N4O5S/c35-28-21(19-39-26-11-5-4-10-24(26)28)18-25-30(36)34(29(32-25)20-8-2-1-3-9-20)22-13-15-23(16-14-22)40(37,38)33-27-12-6-7-17-31-27/h1-19H,(H,31,33)/b25-18-
InChIKeyOFRHTMZGLZRGBW-BWAHOGKJSA-N
MW548.58 g/mol
LogP4.82
Rot. Bonds6

About 4-[(4Z)-5-oxo-4-[(4-oxochromen-3-yl)methylidene]-2-phenylimidazol-1-yl]-N-pyridin-2-ylbenzenesulfonamide

4-[(4Z)-5-oxo-4-[(4-oxochromen-3-yl)methylidene]-2-phenylimidazol-1-yl]-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 118733965) has the molecular formula C30H20N4O5S and a molecular weight of 548.58 g/mol. Its IUPAC name is 4-[(4Z)-5-oxo-4-[(4-oxochromen-3-yl)methylidene]-2-phenylimidazol-1-yl]-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(4Z)-5-oxo-4-[(4-oxochromen-3-yl)methylidene]-2-phenylimidazol-1-yl]-N-pyridin-2-ylbenzenesulfonamide
PubChem CID118733965
Molecular FormulaC30H20N4O5S
Molecular Weight548.58 g/mol
Exact Mass548.12
IUPAC Name4-[(4Z)-5-oxo-4-[(4-oxochromen-3-yl)methylidene]-2-phenylimidazol-1-yl]-N-pyridin-2-ylbenzenesulfonamide
SMILESO=C1/C(=C/c2coc3ccccc3c2=O)N=C(c2ccccc2)N1c1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C30H20N4O5S/c35-28-21(19-39-26-11-5-4-10-24(26)28)18-25-30(36)34(29(32-25)20-8-2-1-3-9-20)22-13-15-23(16-14-22)40(37,38)33-27-12-6-7-17-31-27/h1-19H,(H,31,33)/b25-18-
InChIKeyOFRHTMZGLZRGBW-BWAHOGKJSA-N
XLogP4.82
TPSA121.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.58
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-[(4Z)-5-oxo-4-[(4-oxochromen-3-yl)methylidene]-2-phenylimidazol-1-yl]-N-pyridin-2-ylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4Z)-5-oxo-4-[(4-oxochromen-3-yl)methylidene]-2-phenylimidazol-1-yl]-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-[(4Z)-5-oxo-4-[(4-oxochromen-3-yl)methylidene]-2-phenylimidazol-1-yl]-N-pyridin-2-ylbenzenesulfonamide (CID 118733965) is 4-[(4Z)-5-oxo-4-[(4-oxochromen-3-yl)methylidene]-2-phenylimidazol-1-yl]-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[(4Z)-5-oxo-4-[(4-oxochromen-3-yl)methylidene]-2-phenylimidazol-1-yl]-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[(4Z)-5-oxo-4-[(4-oxochromen-3-yl)methylidene]-2-phenylimidazol-1-yl]-N-pyridin-2-ylbenzenesulfonamide is O=C1/C(=C/c2coc3ccccc3c2=O)N=C(c2ccccc2)N1c1ccc(S(=O)(=O)Nc2ccccn2)cc1.
What is the InChIKey of 4-[(4Z)-5-oxo-4-[(4-oxochromen-3-yl)methylidene]-2-phenylimidazol-1-yl]-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is OFRHTMZGLZRGBW-BWAHOGKJSA-N. The full InChI is InChI=1S/C30H20N4O5S/c35-28-21(19-39-26-11-5-4-10-24(26)28)18-25-30(36)34(29(32-25)20-8-2-1-3-9-20)22-13-15-23(16-14-22)40(37,38)33-27-12-6-7-17-31-27/h1-19H,(H,31,33)/b25-18-.
What are the key properties of 4-[(4Z)-5-oxo-4-[(4-oxochromen-3-yl)methylidene]-2-phenylimidazol-1-yl]-N-pyridin-2-ylbenzenesulfonamide?
4-[(4Z)-5-oxo-4-[(4-oxochromen-3-yl)methylidene]-2-phenylimidazol-1-yl]-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 548.58 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4Z)-5-oxo-4-[(4-oxochromen-3-yl)methylidene]-2-phenylimidazol-1-yl]-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 118733965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).