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

C22H15F3N2O5S — CID 57019908

IUPAC3-[(2,4-dihydroxyphenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=Cc1ccc(O)cc1O
InChIInChI=1S/C22H15F3N2O5S/c23-22(24,25)13-2-4-14(5-3-13)27-33(31,32)16-7-8-19-17(11-16)18(21(30)26-19)9-12-1-6-15(28)10-20(12)29/h1-11,27-29H,(H,26,30)
InChIKeyPUTTYVBASFHZPX-UHFFFAOYSA-N
MW476.43 g/mol
LogP4.41
Rot. Bonds4

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

3-[(2,4-dihydroxyphenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide (PubChem CID 57019908) has the molecular formula C22H15F3N2O5S and a molecular weight of 476.43 g/mol. Its IUPAC name is 3-[(2,4-dihydroxyphenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name3-[(2,4-dihydroxyphenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
PubChem CID57019908
Molecular FormulaC22H15F3N2O5S
Molecular Weight476.43 g/mol
Exact Mass476.07
IUPAC Name3-[(2,4-dihydroxyphenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=Cc1ccc(O)cc1O
InChIInChI=1S/C22H15F3N2O5S/c23-22(24,25)13-2-4-14(5-3-13)27-33(31,32)16-7-8-19-17(11-16)18(21(30)26-19)9-12-1-6-15(28)10-20(12)29/h1-11,27-29H,(H,26,30)
InChIKeyPUTTYVBASFHZPX-UHFFFAOYSA-N
XLogP4.41
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.43
LogP ≤ 54.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 3-[(2,4-dihydroxyphenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide?
The IUPAC name of 3-[(2,4-dihydroxyphenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide (CID 57019908) is 3-[(2,4-dihydroxyphenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide.
What is the SMILES notation for 3-[(2,4-dihydroxyphenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide?
The canonical SMILES for 3-[(2,4-dihydroxyphenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide is O=C1Nc2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=Cc1ccc(O)cc1O.
What is the InChIKey of 3-[(2,4-dihydroxyphenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide?
The InChIKey is PUTTYVBASFHZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O5S/c23-22(24,25)13-2-4-14(5-3-13)27-33(31,32)16-7-8-19-17(11-16)18(21(30)26-19)9-12-1-6-15(28)10-20(12)29/h1-11,27-29H,(H,26,30).
What are the key properties of 3-[(2,4-dihydroxyphenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide?
3-[(2,4-dihydroxyphenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide has a molecular weight of 476.43 g/mol, XLogP of 4.41, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dihydroxyphenyl)methylidene]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-indole-5-sulfonamide is sourced from PubChem (CID 57019908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).