2-amino-5-(4-fluorophenyl)sulfonylphenol

C12H10FNO3S — CID 168654683

IUPAC2-amino-5-(4-fluorophenyl)sulfonylphenol
SMILESNc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1O
InChIInChI=1S/C12H10FNO3S/c13-8-1-3-9(4-2-8)18(16,17)10-5-6-11(14)12(15)7-10/h1-7,15H,14H2
InChIKeyMNLNMCOABWSATM-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.95
Rot. Bonds2

About 2-amino-5-(4-fluorophenyl)sulfonylphenol

2-amino-5-(4-fluorophenyl)sulfonylphenol (PubChem CID 168654683) has the molecular formula C12H10FNO3S and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-amino-5-(4-fluorophenyl)sulfonylphenol.

Molecular Properties

Compound Name2-amino-5-(4-fluorophenyl)sulfonylphenol
PubChem CID168654683
Molecular FormulaC12H10FNO3S
Molecular Weight267.28 g/mol
Exact Mass267.04
IUPAC Name2-amino-5-(4-fluorophenyl)sulfonylphenol
SMILESNc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1O
InChIInChI=1S/C12H10FNO3S/c13-8-1-3-9(4-2-8)18(16,17)10-5-6-11(14)12(15)7-10/h1-7,15H,14H2
InChIKeyMNLNMCOABWSATM-UHFFFAOYSA-N
XLogP1.95
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-5-(4-fluorophenyl)sulfonylphenol?
The IUPAC name of 2-amino-5-(4-fluorophenyl)sulfonylphenol (CID 168654683) is 2-amino-5-(4-fluorophenyl)sulfonylphenol.
What is the SMILES notation for 2-amino-5-(4-fluorophenyl)sulfonylphenol?
The canonical SMILES for 2-amino-5-(4-fluorophenyl)sulfonylphenol is Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1O.
What is the InChIKey of 2-amino-5-(4-fluorophenyl)sulfonylphenol?
The InChIKey is MNLNMCOABWSATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3S/c13-8-1-3-9(4-2-8)18(16,17)10-5-6-11(14)12(15)7-10/h1-7,15H,14H2.
What are the key properties of 2-amino-5-(4-fluorophenyl)sulfonylphenol?
2-amino-5-(4-fluorophenyl)sulfonylphenol has a molecular weight of 267.28 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-fluorophenyl)sulfonylphenol is sourced from PubChem (CID 168654683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).