2-[2-bromo-5-(4-fluorophenyl)sulfonylphenyl]pyridine

C17H11BrFNO2S — CID 135022540

IUPAC2-[2-bromo-5-(4-fluorophenyl)sulfonylphenyl]pyridine
SMILESO=S(=O)(c1ccc(F)cc1)c1ccc(Br)c(-c2ccccn2)c1
InChIInChI=1S/C17H11BrFNO2S/c18-16-9-8-14(11-15(16)17-3-1-2-10-20-17)23(21,22)13-6-4-12(19)5-7-13/h1-11H
InChIKeyFGQMDJABCSNDBX-UHFFFAOYSA-N
MW392.25 g/mol
LogP4.48
Rot. Bonds3

About 2-[2-bromo-5-(4-fluorophenyl)sulfonylphenyl]pyridine

2-[2-bromo-5-(4-fluorophenyl)sulfonylphenyl]pyridine (PubChem CID 135022540) has the molecular formula C17H11BrFNO2S and a molecular weight of 392.25 g/mol. Its IUPAC name is 2-[2-bromo-5-(4-fluorophenyl)sulfonylphenyl]pyridine.

Molecular Properties

Compound Name2-[2-bromo-5-(4-fluorophenyl)sulfonylphenyl]pyridine
PubChem CID135022540
Molecular FormulaC17H11BrFNO2S
Molecular Weight392.25 g/mol
Exact Mass390.97
IUPAC Name2-[2-bromo-5-(4-fluorophenyl)sulfonylphenyl]pyridine
SMILESO=S(=O)(c1ccc(F)cc1)c1ccc(Br)c(-c2ccccn2)c1
InChIInChI=1S/C17H11BrFNO2S/c18-16-9-8-14(11-15(16)17-3-1-2-10-20-17)23(21,22)13-6-4-12(19)5-7-13/h1-11H
InChIKeyFGQMDJABCSNDBX-UHFFFAOYSA-N
XLogP4.48
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-5-(4-fluorophenyl)sulfonylphenyl]pyridine?
The IUPAC name of 2-[2-bromo-5-(4-fluorophenyl)sulfonylphenyl]pyridine (CID 135022540) is 2-[2-bromo-5-(4-fluorophenyl)sulfonylphenyl]pyridine.
What is the SMILES notation for 2-[2-bromo-5-(4-fluorophenyl)sulfonylphenyl]pyridine?
The canonical SMILES for 2-[2-bromo-5-(4-fluorophenyl)sulfonylphenyl]pyridine is O=S(=O)(c1ccc(F)cc1)c1ccc(Br)c(-c2ccccn2)c1.
What is the InChIKey of 2-[2-bromo-5-(4-fluorophenyl)sulfonylphenyl]pyridine?
The InChIKey is FGQMDJABCSNDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrFNO2S/c18-16-9-8-14(11-15(16)17-3-1-2-10-20-17)23(21,22)13-6-4-12(19)5-7-13/h1-11H.
What are the key properties of 2-[2-bromo-5-(4-fluorophenyl)sulfonylphenyl]pyridine?
2-[2-bromo-5-(4-fluorophenyl)sulfonylphenyl]pyridine has a molecular weight of 392.25 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-5-(4-fluorophenyl)sulfonylphenyl]pyridine is sourced from PubChem (CID 135022540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).