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

C28H19F3N2O4S — CID 57193715

IUPAC2-oxo-3-[(3-phenoxyphenyl)methylidene]-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=Cc1cccc(Oc2ccccc2)c1
InChIInChI=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)
InChIKeyJFGDLOJYBXFVPY-UHFFFAOYSA-N
MW536.53 g/mol
LogP6.79
Rot. Bonds6

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 Name2-oxo-3-[(3-phenoxyphenyl)methylidene]-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
PubChem CID57193715
Molecular FormulaC28H19F3N2O4S
Molecular Weight536.53 g/mol
Exact Mass536.10
IUPAC Name2-oxo-3-[(3-phenoxyphenyl)methylidene]-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=Cc1cccc(Oc2ccccc2)c1
InChIInChI=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)
InChIKeyJFGDLOJYBXFVPY-UHFFFAOYSA-N
XLogP6.79
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.53
LogP ≤ 56.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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).