3-[(3-fluorophenyl)methylsulfinylmethylidene]-1H-indol-2-one

C16H12FNO2S — CID 150983896

IUPAC3-[(3-fluorophenyl)methylsulfinylmethylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=CS(=O)Cc1cccc(F)c1
InChIInChI=1S/C16H12FNO2S/c17-12-5-3-4-11(8-12)9-21(20)10-14-13-6-1-2-7-15(13)18-16(14)19/h1-8,10H,9H2,(H,18,19)
InChIKeyLQQYCNQKAOLPIQ-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.07
Rot. Bonds3

About 3-[(3-fluorophenyl)methylsulfinylmethylidene]-1H-indol-2-one

3-[(3-fluorophenyl)methylsulfinylmethylidene]-1H-indol-2-one (PubChem CID 150983896) has the molecular formula C16H12FNO2S and a molecular weight of 301.34 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methylsulfinylmethylidene]-1H-indol-2-one.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methylsulfinylmethylidene]-1H-indol-2-one
PubChem CID150983896
Molecular FormulaC16H12FNO2S
Molecular Weight301.34 g/mol
Exact Mass301.06
IUPAC Name3-[(3-fluorophenyl)methylsulfinylmethylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=CS(=O)Cc1cccc(F)c1
InChIInChI=1S/C16H12FNO2S/c17-12-5-3-4-11(8-12)9-21(20)10-14-13-6-1-2-7-15(13)18-16(14)19/h1-8,10H,9H2,(H,18,19)
InChIKeyLQQYCNQKAOLPIQ-UHFFFAOYSA-N
XLogP3.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methylsulfinylmethylidene]-1H-indol-2-one?
The IUPAC name of 3-[(3-fluorophenyl)methylsulfinylmethylidene]-1H-indol-2-one (CID 150983896) is 3-[(3-fluorophenyl)methylsulfinylmethylidene]-1H-indol-2-one.
What is the SMILES notation for 3-[(3-fluorophenyl)methylsulfinylmethylidene]-1H-indol-2-one?
The canonical SMILES for 3-[(3-fluorophenyl)methylsulfinylmethylidene]-1H-indol-2-one is O=C1Nc2ccccc2C1=CS(=O)Cc1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methylsulfinylmethylidene]-1H-indol-2-one?
The InChIKey is LQQYCNQKAOLPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2S/c17-12-5-3-4-11(8-12)9-21(20)10-14-13-6-1-2-7-15(13)18-16(14)19/h1-8,10H,9H2,(H,18,19).
What are the key properties of 3-[(3-fluorophenyl)methylsulfinylmethylidene]-1H-indol-2-one?
3-[(3-fluorophenyl)methylsulfinylmethylidene]-1H-indol-2-one has a molecular weight of 301.34 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methylsulfinylmethylidene]-1H-indol-2-one is sourced from PubChem (CID 150983896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).