4-[[2-(4-chlorophenyl)sulfanylphenyl]methylamino]-2-fluorophenol

C19H15ClFNOS — CID 69009030

IUPAC4-[[2-(4-chlorophenyl)sulfanylphenyl]methylamino]-2-fluorophenol
SMILESOc1ccc(NCc2ccccc2Sc2ccc(Cl)cc2)cc1F
InChIInChI=1S/C19H15ClFNOS/c20-14-5-8-16(9-6-14)24-19-4-2-1-3-13(19)12-22-15-7-10-18(23)17(21)11-15/h1-11,22-23H,12H2
InChIKeyVVTZWGGCTRQIDI-UHFFFAOYSA-N
MW359.85 g/mol
LogP5.95
Rot. Bonds5

About 4-[[2-(4-chlorophenyl)sulfanylphenyl]methylamino]-2-fluorophenol

4-[[2-(4-chlorophenyl)sulfanylphenyl]methylamino]-2-fluorophenol (PubChem CID 69009030) has the molecular formula C19H15ClFNOS and a molecular weight of 359.85 g/mol. Its IUPAC name is 4-[[2-(4-chlorophenyl)sulfanylphenyl]methylamino]-2-fluorophenol.

Molecular Properties

Compound Name4-[[2-(4-chlorophenyl)sulfanylphenyl]methylamino]-2-fluorophenol
PubChem CID69009030
Molecular FormulaC19H15ClFNOS
Molecular Weight359.85 g/mol
Exact Mass359.05
IUPAC Name4-[[2-(4-chlorophenyl)sulfanylphenyl]methylamino]-2-fluorophenol
SMILESOc1ccc(NCc2ccccc2Sc2ccc(Cl)cc2)cc1F
InChIInChI=1S/C19H15ClFNOS/c20-14-5-8-16(9-6-14)24-19-4-2-1-3-13(19)12-22-15-7-10-18(23)17(21)11-15/h1-11,22-23H,12H2
InChIKeyVVTZWGGCTRQIDI-UHFFFAOYSA-N
XLogP5.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.85
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chlorophenyl)sulfanylphenyl]methylamino]-2-fluorophenol?
The IUPAC name of 4-[[2-(4-chlorophenyl)sulfanylphenyl]methylamino]-2-fluorophenol (CID 69009030) is 4-[[2-(4-chlorophenyl)sulfanylphenyl]methylamino]-2-fluorophenol.
What is the SMILES notation for 4-[[2-(4-chlorophenyl)sulfanylphenyl]methylamino]-2-fluorophenol?
The canonical SMILES for 4-[[2-(4-chlorophenyl)sulfanylphenyl]methylamino]-2-fluorophenol is Oc1ccc(NCc2ccccc2Sc2ccc(Cl)cc2)cc1F.
What is the InChIKey of 4-[[2-(4-chlorophenyl)sulfanylphenyl]methylamino]-2-fluorophenol?
The InChIKey is VVTZWGGCTRQIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNOS/c20-14-5-8-16(9-6-14)24-19-4-2-1-3-13(19)12-22-15-7-10-18(23)17(21)11-15/h1-11,22-23H,12H2.
What are the key properties of 4-[[2-(4-chlorophenyl)sulfanylphenyl]methylamino]-2-fluorophenol?
4-[[2-(4-chlorophenyl)sulfanylphenyl]methylamino]-2-fluorophenol has a molecular weight of 359.85 g/mol, XLogP of 5.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chlorophenyl)sulfanylphenyl]methylamino]-2-fluorophenol is sourced from PubChem (CID 69009030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).