3-(2-bromo-5-iodophenyl)sulfonyloxolane

C10H10BrIO3S — CID 156832385

IUPAC3-(2-bromo-5-iodophenyl)sulfonyloxolane
SMILESO=S(=O)(c1cc(I)ccc1Br)C1CCOC1
InChIInChI=1S/C10H10BrIO3S/c11-9-2-1-7(12)5-10(9)16(13,14)8-3-4-15-6-8/h1-2,5,8H,3-4,6H2
InChIKeyNEQMLSCJRYWIIY-UHFFFAOYSA-N
MW417.06 g/mol
LogP2.62
Rot. Bonds2

About 3-(2-bromo-5-iodophenyl)sulfonyloxolane

3-(2-bromo-5-iodophenyl)sulfonyloxolane (PubChem CID 156832385) has the molecular formula C10H10BrIO3S and a molecular weight of 417.06 g/mol. Its IUPAC name is 3-(2-bromo-5-iodophenyl)sulfonyloxolane.

Molecular Properties

Compound Name3-(2-bromo-5-iodophenyl)sulfonyloxolane
PubChem CID156832385
Molecular FormulaC10H10BrIO3S
Molecular Weight417.06 g/mol
Exact Mass415.86
IUPAC Name3-(2-bromo-5-iodophenyl)sulfonyloxolane
SMILESO=S(=O)(c1cc(I)ccc1Br)C1CCOC1
InChIInChI=1S/C10H10BrIO3S/c11-9-2-1-7(12)5-10(9)16(13,14)8-3-4-15-6-8/h1-2,5,8H,3-4,6H2
InChIKeyNEQMLSCJRYWIIY-UHFFFAOYSA-N
XLogP2.62
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.06
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-iodophenyl)sulfonyloxolane?
The IUPAC name of 3-(2-bromo-5-iodophenyl)sulfonyloxolane (CID 156832385) is 3-(2-bromo-5-iodophenyl)sulfonyloxolane.
What is the SMILES notation for 3-(2-bromo-5-iodophenyl)sulfonyloxolane?
The canonical SMILES for 3-(2-bromo-5-iodophenyl)sulfonyloxolane is O=S(=O)(c1cc(I)ccc1Br)C1CCOC1.
What is the InChIKey of 3-(2-bromo-5-iodophenyl)sulfonyloxolane?
The InChIKey is NEQMLSCJRYWIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrIO3S/c11-9-2-1-7(12)5-10(9)16(13,14)8-3-4-15-6-8/h1-2,5,8H,3-4,6H2.
What are the key properties of 3-(2-bromo-5-iodophenyl)sulfonyloxolane?
3-(2-bromo-5-iodophenyl)sulfonyloxolane has a molecular weight of 417.06 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-iodophenyl)sulfonyloxolane is sourced from PubChem (CID 156832385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).