2-(4-fluorophenyl)sulfanylisoindole-1,3-dione

C14H8FNO2S — CID 66575468

IUPAC2-(4-fluorophenyl)sulfanylisoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Sc1ccc(F)cc1
InChIInChI=1S/C14H8FNO2S/c15-9-5-7-10(8-6-9)19-16-13(17)11-3-1-2-4-12(11)14(16)18/h1-8H
InChIKeyVCWHPTDGPSEIDV-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.13
Rot. Bonds2

About 2-(4-fluorophenyl)sulfanylisoindole-1,3-dione

2-(4-fluorophenyl)sulfanylisoindole-1,3-dione (PubChem CID 66575468) has the molecular formula C14H8FNO2S and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanylisoindole-1,3-dione
PubChem CID66575468
Molecular FormulaC14H8FNO2S
Molecular Weight273.29 g/mol
Exact Mass273.03
IUPAC Name2-(4-fluorophenyl)sulfanylisoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Sc1ccc(F)cc1
InChIInChI=1S/C14H8FNO2S/c15-9-5-7-10(8-6-9)19-16-13(17)11-3-1-2-4-12(11)14(16)18/h1-8H
InChIKeyVCWHPTDGPSEIDV-UHFFFAOYSA-N
XLogP3.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanylisoindole-1,3-dione?
The IUPAC name of 2-(4-fluorophenyl)sulfanylisoindole-1,3-dione (CID 66575468) is 2-(4-fluorophenyl)sulfanylisoindole-1,3-dione.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanylisoindole-1,3-dione?
The canonical SMILES for 2-(4-fluorophenyl)sulfanylisoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Sc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanylisoindole-1,3-dione?
The InChIKey is VCWHPTDGPSEIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FNO2S/c15-9-5-7-10(8-6-9)19-16-13(17)11-3-1-2-4-12(11)14(16)18/h1-8H.
What are the key properties of 2-(4-fluorophenyl)sulfanylisoindole-1,3-dione?
2-(4-fluorophenyl)sulfanylisoindole-1,3-dione has a molecular weight of 273.29 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanylisoindole-1,3-dione is sourced from PubChem (CID 66575468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).