N-(5-chloro-2-hydroxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide

C14H11ClFNO2S — CID 2234182

IUPACN-(5-chloro-2-hydroxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1cc(Cl)ccc1O
InChIInChI=1S/C14H11ClFNO2S/c15-9-1-6-13(18)12(7-9)17-14(19)8-20-11-4-2-10(16)3-5-11/h1-7,18H,8H2,(H,17,19)
InChIKeyLUKUULZMZLTXQA-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.92
Rot. Bonds4

About N-(5-chloro-2-hydroxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide

N-(5-chloro-2-hydroxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 2234182) has the molecular formula C14H11ClFNO2S and a molecular weight of 311.77 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID2234182
Molecular FormulaC14H11ClFNO2S
Molecular Weight311.77 g/mol
Exact Mass311.02
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1cc(Cl)ccc1O
InChIInChI=1S/C14H11ClFNO2S/c15-9-1-6-13(18)12(7-9)17-14(19)8-20-11-4-2-10(16)3-5-11/h1-7,18H,8H2,(H,17,19)
InChIKeyLUKUULZMZLTXQA-UHFFFAOYSA-N
XLogP3.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-chloro-2-hydroxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide 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 N-(5-chloro-2-hydroxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide (CID 2234182) is N-(5-chloro-2-hydroxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide is O=C(CSc1ccc(F)cc1)Nc1cc(Cl)ccc1O.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is LUKUULZMZLTXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO2S/c15-9-1-6-13(18)12(7-9)17-14(19)8-20-11-4-2-10(16)3-5-11/h1-7,18H,8H2,(H,17,19).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide?
N-(5-chloro-2-hydroxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 311.77 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 2234182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).