2-oxo-3-[(3-phenoxyphenyl)methylidene]-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide

C28H19F3N2O4S — CID 57193715

About 2-oxo-3-[(3-phenoxyphenyl)methylidene]-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide

2-oxo-3-[(3-phenoxyphenyl)methylidene]-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide (PubChem CID 57193715) has the molecular formula C28H19F3N2O4S and a molecular weight of 536.53 g/mol. Its IUPAC name is 2-oxo-3-[(3-phenoxyphenyl)methylidene]-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide.

Molecular Properties

• Compound Name: 2-oxo-3-[(3-phenoxyphenyl)methylidene]-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
• PubChem CID: 57193715
• Molecular Formula: C28H19F3N2O4S
• Molecular Weight: 536.53 g/mol
• Exact Mass: 536.10
• IUPAC Name: 2-oxo-3-[(3-phenoxyphenyl)methylidene]-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
• SMILES: O=C1Nc2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=Cc1cccc(Oc2ccccc2)c1
• InChI: InChI=1S/C28H19F3N2O4S/c29-28(30,31)19-9-11-20(12-10-19)33-38(35,36)23-13-14-26-24(17-23)25(27(34)32-26)16-18-5-4-8-22(15-18)37-21-6-2-1-3-7-21/h1-17,33H,(H,32,34)
• InChIKey: JFGDLOJYBXFVPY-UHFFFAOYSA-N
• XLogP: 6.79
• TPSA: 84.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.53
LogP ≤ 5	6.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-[(3-phenoxyphenyl)methylidene]-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide?

The IUPAC name of 2-oxo-3-[(3-phenoxyphenyl)methylidene]-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide (CID 57193715) is 2-oxo-3-[(3-phenoxyphenyl)methylidene]-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide.

What is the SMILES notation for 2-oxo-3-[(3-phenoxyphenyl)methylidene]-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide?

The canonical SMILES for 2-oxo-3-[(3-phenoxyphenyl)methylidene]-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide is O=C1Nc2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=Cc1cccc(Oc2ccccc2)c1.

What is the InChIKey of 2-oxo-3-[(3-phenoxyphenyl)methylidene]-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide?

The InChIKey is JFGDLOJYBXFVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19F3N2O4S/c29-28(30,31)19-9-11-20(12-10-19)33-38(35,36)23-13-14-26-24(17-23)25(27(34)32-26)16-18-5-4-8-22(15-18)37-21-6-2-1-3-7-21/h1-17,33H,(H,32,34).

What are the key properties of 2-oxo-3-[(3-phenoxyphenyl)methylidene]-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide?

2-oxo-3-[(3-phenoxyphenyl)methylidene]-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide has a molecular weight of 536.53 g/mol, XLogP of 6.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-oxo-3-[(3-phenoxyphenyl)methylidene]-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide is sourced from PubChem (CID 57193715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).