2-oxo-3-[(4-phenyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide

C30H24F3N3O3S — CID 57086816

About 2-oxo-3-[(4-phenyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide

2-oxo-3-[(4-phenyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide (PubChem CID 57086816) has the molecular formula C30H24F3N3O3S and a molecular weight of 563.60 g/mol. Its IUPAC name is 2-oxo-3-[(4-phenyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide.

Molecular Properties

• Compound Name: 2-oxo-3-[(4-phenyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
• PubChem CID: 57086816
• Molecular Formula: C30H24F3N3O3S
• Molecular Weight: 563.60 g/mol
• Exact Mass: 563.15
• IUPAC Name: 2-oxo-3-[(4-phenyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
• SMILES: O=C1Nc2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=Cc1cc2c([nH]1)CCCC2c1ccccc1
• InChI: InChI=1S/C30H24F3N3O3S/c31-30(32,33)19-9-11-20(12-10-19)36-40(38,39)22-13-14-28-25(17-22)26(29(37)35-28)16-21-15-24-23(7-4-8-27(24)34-21)18-5-2-1-3-6-18/h1-3,5-6,9-17,23,34,36H,4,7-8H2,(H,35,37)
• InChIKey: DPNZLZGRSSZSTJ-UHFFFAOYSA-N
• XLogP: 6.80
• TPSA: 91.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.60
LogP ≤ 5	6.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-[(4-phenyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide?

The IUPAC name of 2-oxo-3-[(4-phenyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide (CID 57086816) is 2-oxo-3-[(4-phenyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide.

What is the SMILES notation for 2-oxo-3-[(4-phenyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide?

The canonical SMILES for 2-oxo-3-[(4-phenyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide is O=C1Nc2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=Cc1cc2c([nH]1)CCCC2c1ccccc1.

What is the InChIKey of 2-oxo-3-[(4-phenyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide?

The InChIKey is DPNZLZGRSSZSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F3N3O3S/c31-30(32,33)19-9-11-20(12-10-19)36-40(38,39)22-13-14-28-25(17-22)26(29(37)35-28)16-21-15-24-23(7-4-8-27(24)34-21)18-5-2-1-3-6-18/h1-3,5-6,9-17,23,34,36H,4,7-8H2,(H,35,37).

What are the key properties of 2-oxo-3-[(4-phenyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide?

2-oxo-3-[(4-phenyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide has a molecular weight of 563.60 g/mol, XLogP of 6.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-oxo-3-[(4-phenyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide is sourced from PubChem (CID 57086816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).