[4-(4-methoxyphenyl)sulfonylphenyl] hypoiodite

C13H11IO4S — CID 118689702

IUPAC[4-(4-methoxyphenyl)sulfonylphenyl] hypoiodite
SMILESCOc1ccc(S(=O)(=O)c2ccc(OI)cc2)cc1
InChIInChI=1S/C13H11IO4S/c1-17-10-2-6-12(7-3-10)19(15,16)13-8-4-11(18-14)5-9-13/h2-9H,1H3
InChIKeyIOKITIQHHFCYOT-UHFFFAOYSA-N
MW390.20 g/mol
LogP3.26
Rot. Bonds4

About [4-(4-methoxyphenyl)sulfonylphenyl] hypoiodite

[4-(4-methoxyphenyl)sulfonylphenyl] hypoiodite (PubChem CID 118689702) has the molecular formula C13H11IO4S and a molecular weight of 390.20 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)sulfonylphenyl] hypoiodite.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)sulfonylphenyl] hypoiodite
PubChem CID118689702
Molecular FormulaC13H11IO4S
Molecular Weight390.20 g/mol
Exact Mass389.94
IUPAC Name[4-(4-methoxyphenyl)sulfonylphenyl] hypoiodite
SMILESCOc1ccc(S(=O)(=O)c2ccc(OI)cc2)cc1
InChIInChI=1S/C13H11IO4S/c1-17-10-2-6-12(7-3-10)19(15,16)13-8-4-11(18-14)5-9-13/h2-9H,1H3
InChIKeyIOKITIQHHFCYOT-UHFFFAOYSA-N
XLogP3.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.20
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
1-(4-ethoxyphenyl)sulfonyl-4-methoxybenzene
CID 59120135
4-methoxybenzenesulfonyl iodide
CID 23080708
[4-(4-methoxyphenyl)sulfonylphenyl]methanol
CID 70863002
1,2,3-tris[(4-methoxyphenyl)sulfonyl]benzene
CID 91532312
1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene
CID 158042386
ethane;1-methoxy-4-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]benzene
CID 91541647
[4-[4-(4-methoxybenzoyl)oxyphenyl]sulfonylphenyl] 4-methoxybenzoate
CID 2379395
[4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenyl]methanol
CID 90128560
methanesulfonic acid;1-[4-[4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 90873606
formaldehyde;methyl 4-(4-methoxyphenyl)sulfonylbenzoate
CID 143113216
2-amino-5-(4-methoxyphenyl)sulfonylphenol
CID 168654688

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)sulfonylphenyl] hypoiodite?
The IUPAC name of [4-(4-methoxyphenyl)sulfonylphenyl] hypoiodite (CID 118689702) is [4-(4-methoxyphenyl)sulfonylphenyl] hypoiodite.
What is the SMILES notation for [4-(4-methoxyphenyl)sulfonylphenyl] hypoiodite?
The canonical SMILES for [4-(4-methoxyphenyl)sulfonylphenyl] hypoiodite is COc1ccc(S(=O)(=O)c2ccc(OI)cc2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)sulfonylphenyl] hypoiodite?
The InChIKey is IOKITIQHHFCYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IO4S/c1-17-10-2-6-12(7-3-10)19(15,16)13-8-4-11(18-14)5-9-13/h2-9H,1H3.
What are the key properties of [4-(4-methoxyphenyl)sulfonylphenyl] hypoiodite?
[4-(4-methoxyphenyl)sulfonylphenyl] hypoiodite has a molecular weight of 390.20 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)sulfonylphenyl] hypoiodite is sourced from PubChem (CID 118689702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).