5-bromo-2-(4-fluorophenyl)-3-methylsulfonylthiophene

C11H8BrFO2S2 — CID 69117521

IUPAC5-bromo-2-(4-fluorophenyl)-3-methylsulfonylthiophene
SMILESCS(=O)(=O)c1cc(Br)sc1-c1ccc(F)cc1
InChIInChI=1S/C11H8BrFO2S2/c1-17(14,15)9-6-10(12)16-11(9)7-2-4-8(13)5-3-7/h2-6H,1H3
InChIKeyMSZJFMHXCYKURK-UHFFFAOYSA-N
MW335.22 g/mol
LogP3.72
Rot. Bonds2

About 5-bromo-2-(4-fluorophenyl)-3-methylsulfonylthiophene

5-bromo-2-(4-fluorophenyl)-3-methylsulfonylthiophene (PubChem CID 69117521) has the molecular formula C11H8BrFO2S2 and a molecular weight of 335.22 g/mol. Its IUPAC name is 5-bromo-2-(4-fluorophenyl)-3-methylsulfonylthiophene.

Molecular Properties

Compound Name5-bromo-2-(4-fluorophenyl)-3-methylsulfonylthiophene
PubChem CID69117521
Molecular FormulaC11H8BrFO2S2
Molecular Weight335.22 g/mol
Exact Mass333.91
IUPAC Name5-bromo-2-(4-fluorophenyl)-3-methylsulfonylthiophene
SMILESCS(=O)(=O)c1cc(Br)sc1-c1ccc(F)cc1
InChIInChI=1S/C11H8BrFO2S2/c1-17(14,15)9-6-10(12)16-11(9)7-2-4-8(13)5-3-7/h2-6H,1H3
InChIKeyMSZJFMHXCYKURK-UHFFFAOYSA-N
XLogP3.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 53.72
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)-3-methylsulfonylthiophene?
The IUPAC name of 5-bromo-2-(4-fluorophenyl)-3-methylsulfonylthiophene (CID 69117521) is 5-bromo-2-(4-fluorophenyl)-3-methylsulfonylthiophene.
What is the SMILES notation for 5-bromo-2-(4-fluorophenyl)-3-methylsulfonylthiophene?
The canonical SMILES for 5-bromo-2-(4-fluorophenyl)-3-methylsulfonylthiophene is CS(=O)(=O)c1cc(Br)sc1-c1ccc(F)cc1.
What is the InChIKey of 5-bromo-2-(4-fluorophenyl)-3-methylsulfonylthiophene?
The InChIKey is MSZJFMHXCYKURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFO2S2/c1-17(14,15)9-6-10(12)16-11(9)7-2-4-8(13)5-3-7/h2-6H,1H3.
What are the key properties of 5-bromo-2-(4-fluorophenyl)-3-methylsulfonylthiophene?
5-bromo-2-(4-fluorophenyl)-3-methylsulfonylthiophene has a molecular weight of 335.22 g/mol, XLogP of 3.72, 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)-3-methylsulfonylthiophene is sourced from PubChem (CID 69117521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).