2-amino-4-(4-fluorophenyl)sulfinylphenol

C12H10FNO2S — CID 70534886

IUPAC2-amino-4-(4-fluorophenyl)sulfinylphenol
SMILESNc1cc(S(=O)c2ccc(F)cc2)ccc1O
InChIInChI=1S/C12H10FNO2S/c13-8-1-3-9(4-2-8)17(16)10-5-6-12(15)11(14)7-10/h1-7,15H,14H2
InChIKeyFSLSYSYMYYOUJH-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.28
Rot. Bonds2

About 2-amino-4-(4-fluorophenyl)sulfinylphenol

2-amino-4-(4-fluorophenyl)sulfinylphenol (PubChem CID 70534886) has the molecular formula C12H10FNO2S and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-amino-4-(4-fluorophenyl)sulfinylphenol.

Molecular Properties

Compound Name2-amino-4-(4-fluorophenyl)sulfinylphenol
PubChem CID70534886
Molecular FormulaC12H10FNO2S
Molecular Weight251.28 g/mol
Exact Mass251.04
IUPAC Name2-amino-4-(4-fluorophenyl)sulfinylphenol
SMILESNc1cc(S(=O)c2ccc(F)cc2)ccc1O
InChIInChI=1S/C12H10FNO2S/c13-8-1-3-9(4-2-8)17(16)10-5-6-12(15)11(14)7-10/h1-7,15H,14H2
InChIKeyFSLSYSYMYYOUJH-UHFFFAOYSA-N
XLogP2.28
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-fluorophenyl)sulfinylphenol?
The IUPAC name of 2-amino-4-(4-fluorophenyl)sulfinylphenol (CID 70534886) is 2-amino-4-(4-fluorophenyl)sulfinylphenol.
What is the SMILES notation for 2-amino-4-(4-fluorophenyl)sulfinylphenol?
The canonical SMILES for 2-amino-4-(4-fluorophenyl)sulfinylphenol is Nc1cc(S(=O)c2ccc(F)cc2)ccc1O.
What is the InChIKey of 2-amino-4-(4-fluorophenyl)sulfinylphenol?
The InChIKey is FSLSYSYMYYOUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2S/c13-8-1-3-9(4-2-8)17(16)10-5-6-12(15)11(14)7-10/h1-7,15H,14H2.
What are the key properties of 2-amino-4-(4-fluorophenyl)sulfinylphenol?
2-amino-4-(4-fluorophenyl)sulfinylphenol has a molecular weight of 251.28 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-fluorophenyl)sulfinylphenol is sourced from PubChem (CID 70534886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).