2-[(4-fluorophenyl)methylsulfanyl]-N-hydroxyacetamide

C9H10FNO2S — CID 23339661

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-N-hydroxyacetamide
SMILESO=C(CSCc1ccc(F)cc1)NO
InChIInChI=1S/C9H10FNO2S/c10-8-3-1-7(2-4-8)5-14-6-9(12)11-13/h1-4,13H,5-6H2,(H,11,12)
InChIKeyPIALWHIVAGKZAU-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.56
Rot. Bonds4

About 2-[(4-fluorophenyl)methylsulfanyl]-N-hydroxyacetamide

2-[(4-fluorophenyl)methylsulfanyl]-N-hydroxyacetamide (PubChem CID 23339661) has the molecular formula C9H10FNO2S and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-N-hydroxyacetamide
PubChem CID23339661
Molecular FormulaC9H10FNO2S
Molecular Weight215.25 g/mol
Exact Mass215.04
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-N-hydroxyacetamide
SMILESO=C(CSCc1ccc(F)cc1)NO
InChIInChI=1S/C9H10FNO2S/c10-8-3-1-7(2-4-8)5-14-6-9(12)11-13/h1-4,13H,5-6H2,(H,11,12)
InChIKeyPIALWHIVAGKZAU-UHFFFAOYSA-N
XLogP1.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-hydroxyacetamide?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-hydroxyacetamide (CID 23339661) is 2-[(4-fluorophenyl)methylsulfanyl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-N-hydroxyacetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-N-hydroxyacetamide is O=C(CSCc1ccc(F)cc1)NO.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-N-hydroxyacetamide?
The InChIKey is PIALWHIVAGKZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2S/c10-8-3-1-7(2-4-8)5-14-6-9(12)11-13/h1-4,13H,5-6H2,(H,11,12).
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-N-hydroxyacetamide?
2-[(4-fluorophenyl)methylsulfanyl]-N-hydroxyacetamide has a molecular weight of 215.25 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-N-hydroxyacetamide is sourced from PubChem (CID 23339661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).