1-[2-amino-4-(4-fluorophenyl)sulfanylphenyl]ethanone

C14H12FNOS — CID 113423330

IUPAC1-[2-amino-4-(4-fluorophenyl)sulfanylphenyl]ethanone
SMILESCC(=O)c1ccc(Sc2ccc(F)cc2)cc1N
InChIInChI=1S/C14H12FNOS/c1-9(17)13-7-6-12(8-14(13)16)18-11-4-2-10(15)3-5-11/h2-8H,16H2,1H3
InChIKeyIUPNSLSUVBAWRY-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.76
Rot. Bonds3

About 1-[2-amino-4-(4-fluorophenyl)sulfanylphenyl]ethanone

1-[2-amino-4-(4-fluorophenyl)sulfanylphenyl]ethanone (PubChem CID 113423330) has the molecular formula C14H12FNOS and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[2-amino-4-(4-fluorophenyl)sulfanylphenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-(4-fluorophenyl)sulfanylphenyl]ethanone
PubChem CID113423330
Molecular FormulaC14H12FNOS
Molecular Weight261.32 g/mol
Exact Mass261.06
IUPAC Name1-[2-amino-4-(4-fluorophenyl)sulfanylphenyl]ethanone
SMILESCC(=O)c1ccc(Sc2ccc(F)cc2)cc1N
InChIInChI=1S/C14H12FNOS/c1-9(17)13-7-6-12(8-14(13)16)18-11-4-2-10(15)3-5-11/h2-8H,16H2,1H3
InChIKeyIUPNSLSUVBAWRY-UHFFFAOYSA-N
XLogP3.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-(4-fluorophenyl)sulfanylphenyl]ethanone?
The IUPAC name of 1-[2-amino-4-(4-fluorophenyl)sulfanylphenyl]ethanone (CID 113423330) is 1-[2-amino-4-(4-fluorophenyl)sulfanylphenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-(4-fluorophenyl)sulfanylphenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-(4-fluorophenyl)sulfanylphenyl]ethanone is CC(=O)c1ccc(Sc2ccc(F)cc2)cc1N.
What is the InChIKey of 1-[2-amino-4-(4-fluorophenyl)sulfanylphenyl]ethanone?
The InChIKey is IUPNSLSUVBAWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNOS/c1-9(17)13-7-6-12(8-14(13)16)18-11-4-2-10(15)3-5-11/h2-8H,16H2,1H3.
What are the key properties of 1-[2-amino-4-(4-fluorophenyl)sulfanylphenyl]ethanone?
1-[2-amino-4-(4-fluorophenyl)sulfanylphenyl]ethanone has a molecular weight of 261.32 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-(4-fluorophenyl)sulfanylphenyl]ethanone is sourced from PubChem (CID 113423330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).