2-(2-bromo-5-ethylsulfonylphenyl)furan

C12H11BrO3S — CID 168524660

IUPAC2-(2-bromo-5-ethylsulfonylphenyl)furan
SMILESCCS(=O)(=O)c1ccc(Br)c(-c2ccco2)c1
InChIInChI=1S/C12H11BrO3S/c1-2-17(14,15)9-5-6-11(13)10(8-9)12-4-3-7-16-12/h3-8H,2H2,1H3
InChIKeyKYDMYYWXYFAGSL-UHFFFAOYSA-N
MW315.19 g/mol
LogP3.50
Rot. Bonds3

About 2-(2-bromo-5-ethylsulfonylphenyl)furan

2-(2-bromo-5-ethylsulfonylphenyl)furan (PubChem CID 168524660) has the molecular formula C12H11BrO3S and a molecular weight of 315.19 g/mol. Its IUPAC name is 2-(2-bromo-5-ethylsulfonylphenyl)furan.

Molecular Properties

Compound Name2-(2-bromo-5-ethylsulfonylphenyl)furan
PubChem CID168524660
Molecular FormulaC12H11BrO3S
Molecular Weight315.19 g/mol
Exact Mass313.96
IUPAC Name2-(2-bromo-5-ethylsulfonylphenyl)furan
SMILESCCS(=O)(=O)c1ccc(Br)c(-c2ccco2)c1
InChIInChI=1S/C12H11BrO3S/c1-2-17(14,15)9-5-6-11(13)10(8-9)12-4-3-7-16-12/h3-8H,2H2,1H3
InChIKeyKYDMYYWXYFAGSL-UHFFFAOYSA-N
XLogP3.50
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 53.50
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-ethylsulfonylphenyl)furan?
The IUPAC name of 2-(2-bromo-5-ethylsulfonylphenyl)furan (CID 168524660) is 2-(2-bromo-5-ethylsulfonylphenyl)furan.
What is the SMILES notation for 2-(2-bromo-5-ethylsulfonylphenyl)furan?
The canonical SMILES for 2-(2-bromo-5-ethylsulfonylphenyl)furan is CCS(=O)(=O)c1ccc(Br)c(-c2ccco2)c1.
What is the InChIKey of 2-(2-bromo-5-ethylsulfonylphenyl)furan?
The InChIKey is KYDMYYWXYFAGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO3S/c1-2-17(14,15)9-5-6-11(13)10(8-9)12-4-3-7-16-12/h3-8H,2H2,1H3.
What are the key properties of 2-(2-bromo-5-ethylsulfonylphenyl)furan?
2-(2-bromo-5-ethylsulfonylphenyl)furan has a molecular weight of 315.19 g/mol, XLogP of 3.50, 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-ethylsulfonylphenyl)furan is sourced from PubChem (CID 168524660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).