2-fluoro-4-(2-methylsulfonylimidazol-1-yl)phenol

C10H9FN2O3S — CID 58394115

IUPAC2-fluoro-4-(2-methylsulfonylimidazol-1-yl)phenol
SMILESCS(=O)(=O)c1nccn1-c1ccc(O)c(F)c1
InChIInChI=1S/C10H9FN2O3S/c1-17(15,16)10-12-4-5-13(10)7-2-3-9(14)8(11)6-7/h2-6,14H,1H3
InChIKeyMZASUAAFKAZJIY-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.12
Rot. Bonds2

About 2-fluoro-4-(2-methylsulfonylimidazol-1-yl)phenol

2-fluoro-4-(2-methylsulfonylimidazol-1-yl)phenol (PubChem CID 58394115) has the molecular formula C10H9FN2O3S and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-fluoro-4-(2-methylsulfonylimidazol-1-yl)phenol.

Molecular Properties

Compound Name2-fluoro-4-(2-methylsulfonylimidazol-1-yl)phenol
PubChem CID58394115
Molecular FormulaC10H9FN2O3S
Molecular Weight256.26 g/mol
Exact Mass256.03
IUPAC Name2-fluoro-4-(2-methylsulfonylimidazol-1-yl)phenol
SMILESCS(=O)(=O)c1nccn1-c1ccc(O)c(F)c1
InChIInChI=1S/C10H9FN2O3S/c1-17(15,16)10-12-4-5-13(10)7-2-3-9(14)8(11)6-7/h2-6,14H,1H3
InChIKeyMZASUAAFKAZJIY-UHFFFAOYSA-N
XLogP1.12
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2-methylsulfonylimidazol-1-yl)phenol?
The IUPAC name of 2-fluoro-4-(2-methylsulfonylimidazol-1-yl)phenol (CID 58394115) is 2-fluoro-4-(2-methylsulfonylimidazol-1-yl)phenol.
What is the SMILES notation for 2-fluoro-4-(2-methylsulfonylimidazol-1-yl)phenol?
The canonical SMILES for 2-fluoro-4-(2-methylsulfonylimidazol-1-yl)phenol is CS(=O)(=O)c1nccn1-c1ccc(O)c(F)c1.
What is the InChIKey of 2-fluoro-4-(2-methylsulfonylimidazol-1-yl)phenol?
The InChIKey is MZASUAAFKAZJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O3S/c1-17(15,16)10-12-4-5-13(10)7-2-3-9(14)8(11)6-7/h2-6,14H,1H3.
What are the key properties of 2-fluoro-4-(2-methylsulfonylimidazol-1-yl)phenol?
2-fluoro-4-(2-methylsulfonylimidazol-1-yl)phenol has a molecular weight of 256.26 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2-methylsulfonylimidazol-1-yl)phenol is sourced from PubChem (CID 58394115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).