3-[(3-fluoro-2-hydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide

C16H13FN2O4S — CID 57311248

IUPAC3-[(3-fluoro-2-hydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)C(=Cc1cccc(F)c1O)C(=O)N2
InChIInChI=1S/C16H13FN2O4S/c1-18-24(22,23)10-5-6-14-11(8-10)12(16(21)19-14)7-9-3-2-4-13(17)15(9)20/h2-8,18,20H,1H3,(H,19,21)
InChIKeyFFDBFJIGBDSHTQ-UHFFFAOYSA-N
MW348.36 g/mol
LogP1.93
Rot. Bonds3

About 3-[(3-fluoro-2-hydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide

3-[(3-fluoro-2-hydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide (PubChem CID 57311248) has the molecular formula C16H13FN2O4S and a molecular weight of 348.36 g/mol. Its IUPAC name is 3-[(3-fluoro-2-hydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name3-[(3-fluoro-2-hydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide
PubChem CID57311248
Molecular FormulaC16H13FN2O4S
Molecular Weight348.36 g/mol
Exact Mass348.06
IUPAC Name3-[(3-fluoro-2-hydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)C(=Cc1cccc(F)c1O)C(=O)N2
InChIInChI=1S/C16H13FN2O4S/c1-18-24(22,23)10-5-6-14-11(8-10)12(16(21)19-14)7-9-3-2-4-13(17)15(9)20/h2-8,18,20H,1H3,(H,19,21)
InChIKeyFFDBFJIGBDSHTQ-UHFFFAOYSA-N
XLogP1.93
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 51.93
H-Bond Donors ≤ 53
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 3-[(3-fluoro-2-hydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide?
The IUPAC name of 3-[(3-fluoro-2-hydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide (CID 57311248) is 3-[(3-fluoro-2-hydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide.
What is the SMILES notation for 3-[(3-fluoro-2-hydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide?
The canonical SMILES for 3-[(3-fluoro-2-hydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide is CNS(=O)(=O)c1ccc2c(c1)C(=Cc1cccc(F)c1O)C(=O)N2.
What is the InChIKey of 3-[(3-fluoro-2-hydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide?
The InChIKey is FFDBFJIGBDSHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O4S/c1-18-24(22,23)10-5-6-14-11(8-10)12(16(21)19-14)7-9-3-2-4-13(17)15(9)20/h2-8,18,20H,1H3,(H,19,21).
What are the key properties of 3-[(3-fluoro-2-hydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide?
3-[(3-fluoro-2-hydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide has a molecular weight of 348.36 g/mol, XLogP of 1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-2-hydroxyphenyl)methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 57311248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).