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

C20H17ClFNOS — CID 142879611

IUPAC4-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethylamino]-2-fluorophenol
SMILESOc1ccc(NCCc2ccccc2Sc2ccc(Cl)cc2)cc1F
InChIInChI=1S/C20H17ClFNOS/c21-15-5-8-17(9-6-15)25-20-4-2-1-3-14(20)11-12-23-16-7-10-19(24)18(22)13-16/h1-10,13,23-24H,11-12H2
InChIKeyRZYAUEJNLXKCOM-UHFFFAOYSA-N
MW373.88 g/mol
LogP5.99
Rot. Bonds6

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

4-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethylamino]-2-fluorophenol (PubChem CID 142879611) has the molecular formula C20H17ClFNOS and a molecular weight of 373.88 g/mol. Its IUPAC name is 4-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethylamino]-2-fluorophenol.

Molecular Properties

Compound Name4-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethylamino]-2-fluorophenol
PubChem CID142879611
Molecular FormulaC20H17ClFNOS
Molecular Weight373.88 g/mol
Exact Mass373.07
IUPAC Name4-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethylamino]-2-fluorophenol
SMILESOc1ccc(NCCc2ccccc2Sc2ccc(Cl)cc2)cc1F
InChIInChI=1S/C20H17ClFNOS/c21-15-5-8-17(9-6-15)25-20-4-2-1-3-14(20)11-12-23-16-7-10-19(24)18(22)13-16/h1-10,13,23-24H,11-12H2
InChIKeyRZYAUEJNLXKCOM-UHFFFAOYSA-N
XLogP5.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.88
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethylamino]-2-fluorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethylamino]-2-fluorophenol?
The IUPAC name of 4-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethylamino]-2-fluorophenol (CID 142879611) is 4-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethylamino]-2-fluorophenol.
What is the SMILES notation for 4-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethylamino]-2-fluorophenol?
The canonical SMILES for 4-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethylamino]-2-fluorophenol is Oc1ccc(NCCc2ccccc2Sc2ccc(Cl)cc2)cc1F.
What is the InChIKey of 4-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethylamino]-2-fluorophenol?
The InChIKey is RZYAUEJNLXKCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFNOS/c21-15-5-8-17(9-6-15)25-20-4-2-1-3-14(20)11-12-23-16-7-10-19(24)18(22)13-16/h1-10,13,23-24H,11-12H2.
What are the key properties of 4-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethylamino]-2-fluorophenol?
4-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethylamino]-2-fluorophenol has a molecular weight of 373.88 g/mol, XLogP of 5.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethylamino]-2-fluorophenol is sourced from PubChem (CID 142879611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).