[hydroxy(phenyl)-λ3-iodanyl] methanesulfonate

C7H9IO4S — CID 11141609

IUPAC[hydroxy(phenyl)-λ3-iodanyl] methanesulfonate
SMILESCS(=O)(=O)OI(O)c1ccccc1
InChIInChI=1S/C7H9IO4S/c1-13(10,11)12-8(9)7-5-3-2-4-6-7/h2-6,9H,1H3
InChIKeyWSUYPCBSGVAXNY-UHFFFAOYSA-N
MW316.12 g/mol
LogP1.16
Rot. Bonds3

About [hydroxy(phenyl)-λ3-iodanyl] methanesulfonate

[hydroxy(phenyl)-λ3-iodanyl] methanesulfonate (PubChem CID 11141609) has the molecular formula C7H9IO4S and a molecular weight of 316.12 g/mol. Its IUPAC name is [hydroxy(phenyl)-λ3-iodanyl] methanesulfonate.

Molecular Properties

Compound Name[hydroxy(phenyl)-λ3-iodanyl] methanesulfonate
PubChem CID11141609
Molecular FormulaC7H9IO4S
Molecular Weight316.12 g/mol
Exact Mass315.93
IUPAC Name[hydroxy(phenyl)-λ3-iodanyl] methanesulfonate
SMILESCS(=O)(=O)OI(O)c1ccccc1
InChIInChI=1S/C7H9IO4S/c1-13(10,11)12-8(9)7-5-3-2-4-6-7/h2-6,9H,1H3
InChIKeyWSUYPCBSGVAXNY-UHFFFAOYSA-N
XLogP1.16
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.12
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [hydroxy(phenyl)-λ3-iodanyl] methanesulfonate?
The IUPAC name of [hydroxy(phenyl)-λ3-iodanyl] methanesulfonate (CID 11141609) is [hydroxy(phenyl)-λ3-iodanyl] methanesulfonate.
What is the SMILES notation for [hydroxy(phenyl)-λ3-iodanyl] methanesulfonate?
The canonical SMILES for [hydroxy(phenyl)-λ3-iodanyl] methanesulfonate is CS(=O)(=O)OI(O)c1ccccc1.
What is the InChIKey of [hydroxy(phenyl)-λ3-iodanyl] methanesulfonate?
The InChIKey is WSUYPCBSGVAXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IO4S/c1-13(10,11)12-8(9)7-5-3-2-4-6-7/h2-6,9H,1H3.
What are the key properties of [hydroxy(phenyl)-λ3-iodanyl] methanesulfonate?
[hydroxy(phenyl)-λ3-iodanyl] methanesulfonate has a molecular weight of 316.12 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(phenyl)-λ3-iodanyl] methanesulfonate is sourced from PubChem (CID 11141609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).