5-bromo-2-(4-fluorophenyl)sulfonylpyridine

C11H7BrFNO2S — CID 168964285

IUPAC5-bromo-2-(4-fluorophenyl)sulfonylpyridine
SMILESO=S(=O)(c1ccc(F)cc1)c1ccc(Br)cn1
InChIInChI=1S/C11H7BrFNO2S/c12-8-1-6-11(14-7-8)17(15,16)10-4-2-9(13)3-5-10/h1-7H
InChIKeyBHCLFWJXUKEESF-UHFFFAOYSA-N
MW316.15 g/mol
LogP2.82
Rot. Bonds2

About 5-bromo-2-(4-fluorophenyl)sulfonylpyridine

5-bromo-2-(4-fluorophenyl)sulfonylpyridine (PubChem CID 168964285) has the molecular formula C11H7BrFNO2S and a molecular weight of 316.15 g/mol. Its IUPAC name is 5-bromo-2-(4-fluorophenyl)sulfonylpyridine.

Molecular Properties

Compound Name5-bromo-2-(4-fluorophenyl)sulfonylpyridine
PubChem CID168964285
Molecular FormulaC11H7BrFNO2S
Molecular Weight316.15 g/mol
Exact Mass314.94
IUPAC Name5-bromo-2-(4-fluorophenyl)sulfonylpyridine
SMILESO=S(=O)(c1ccc(F)cc1)c1ccc(Br)cn1
InChIInChI=1S/C11H7BrFNO2S/c12-8-1-6-11(14-7-8)17(15,16)10-4-2-9(13)3-5-10/h1-7H
InChIKeyBHCLFWJXUKEESF-UHFFFAOYSA-N
XLogP2.82
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-fluorophenyl)sulfonylpyridine?
The IUPAC name of 5-bromo-2-(4-fluorophenyl)sulfonylpyridine (CID 168964285) is 5-bromo-2-(4-fluorophenyl)sulfonylpyridine.
What is the SMILES notation for 5-bromo-2-(4-fluorophenyl)sulfonylpyridine?
The canonical SMILES for 5-bromo-2-(4-fluorophenyl)sulfonylpyridine is O=S(=O)(c1ccc(F)cc1)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-(4-fluorophenyl)sulfonylpyridine?
The InChIKey is BHCLFWJXUKEESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFNO2S/c12-8-1-6-11(14-7-8)17(15,16)10-4-2-9(13)3-5-10/h1-7H.
What are the key properties of 5-bromo-2-(4-fluorophenyl)sulfonylpyridine?
5-bromo-2-(4-fluorophenyl)sulfonylpyridine has a molecular weight of 316.15 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-fluorophenyl)sulfonylpyridine is sourced from PubChem (CID 168964285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).