2-[(4-bromo-2-fluorophenyl)methylsulfonyl]thiophene

C11H8BrFO2S2 — CID 2821747

IUPAC2-[(4-bromo-2-fluorophenyl)methylsulfonyl]thiophene
SMILESO=S(=O)(Cc1ccc(Br)cc1F)c1cccs1
InChIInChI=1S/C11H8BrFO2S2/c12-9-4-3-8(10(13)6-9)7-17(14,15)11-2-1-5-16-11/h1-6H,7H2
InChIKeyBFNSXJLNDMYGIO-UHFFFAOYSA-N
MW335.22 g/mol
LogP3.62
Rot. Bonds3

About 2-[(4-bromo-2-fluorophenyl)methylsulfonyl]thiophene

2-[(4-bromo-2-fluorophenyl)methylsulfonyl]thiophene (PubChem CID 2821747) has the molecular formula C11H8BrFO2S2 and a molecular weight of 335.22 g/mol. Its IUPAC name is 2-[(4-bromo-2-fluorophenyl)methylsulfonyl]thiophene.

Molecular Properties

Compound Name2-[(4-bromo-2-fluorophenyl)methylsulfonyl]thiophene
PubChem CID2821747
Molecular FormulaC11H8BrFO2S2
Molecular Weight335.22 g/mol
Exact Mass333.91
IUPAC Name2-[(4-bromo-2-fluorophenyl)methylsulfonyl]thiophene
SMILESO=S(=O)(Cc1ccc(Br)cc1F)c1cccs1
InChIInChI=1S/C11H8BrFO2S2/c12-9-4-3-8(10(13)6-9)7-17(14,15)11-2-1-5-16-11/h1-6H,7H2
InChIKeyBFNSXJLNDMYGIO-UHFFFAOYSA-N
XLogP3.62
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-fluorophenyl)methylsulfonyl]thiophene?
The IUPAC name of 2-[(4-bromo-2-fluorophenyl)methylsulfonyl]thiophene (CID 2821747) is 2-[(4-bromo-2-fluorophenyl)methylsulfonyl]thiophene.
What is the SMILES notation for 2-[(4-bromo-2-fluorophenyl)methylsulfonyl]thiophene?
The canonical SMILES for 2-[(4-bromo-2-fluorophenyl)methylsulfonyl]thiophene is O=S(=O)(Cc1ccc(Br)cc1F)c1cccs1.
What is the InChIKey of 2-[(4-bromo-2-fluorophenyl)methylsulfonyl]thiophene?
The InChIKey is BFNSXJLNDMYGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFO2S2/c12-9-4-3-8(10(13)6-9)7-17(14,15)11-2-1-5-16-11/h1-6H,7H2.
What are the key properties of 2-[(4-bromo-2-fluorophenyl)methylsulfonyl]thiophene?
2-[(4-bromo-2-fluorophenyl)methylsulfonyl]thiophene has a molecular weight of 335.22 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-fluorophenyl)methylsulfonyl]thiophene is sourced from PubChem (CID 2821747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).