1-(4-iodophenyl)sulfonyl-4-[4-(4-iodophenyl)sulfonylphenoxy]benzene

C24H16I2O5S2 — CID 22336488

IUPAC1-(4-iodophenyl)sulfonyl-4-[4-(4-iodophenyl)sulfonylphenoxy]benzene
SMILESO=S(=O)(c1ccc(I)cc1)c1ccc(Oc2ccc(S(=O)(=O)c3ccc(I)cc3)cc2)cc1
InChIInChI=1S/C24H16I2O5S2/c25-17-1-9-21(10-2-17)32(27,28)23-13-5-19(6-14-23)31-20-7-15-24(16-8-20)33(29,30)22-11-3-18(26)4-12-22/h1-16H
InChIKeyHHMCODBHHPJPGL-UHFFFAOYSA-N
MW702.33 g/mol
LogP6.35
Rot. Bonds6

About 1-(4-iodophenyl)sulfonyl-4-[4-(4-iodophenyl)sulfonylphenoxy]benzene

1-(4-iodophenyl)sulfonyl-4-[4-(4-iodophenyl)sulfonylphenoxy]benzene (PubChem CID 22336488) has the molecular formula C24H16I2O5S2 and a molecular weight of 702.33 g/mol. Its IUPAC name is 1-(4-iodophenyl)sulfonyl-4-[4-(4-iodophenyl)sulfonylphenoxy]benzene.

Molecular Properties

Compound Name1-(4-iodophenyl)sulfonyl-4-[4-(4-iodophenyl)sulfonylphenoxy]benzene
PubChem CID22336488
Molecular FormulaC24H16I2O5S2
Molecular Weight702.33 g/mol
Exact Mass701.85
IUPAC Name1-(4-iodophenyl)sulfonyl-4-[4-(4-iodophenyl)sulfonylphenoxy]benzene
SMILESO=S(=O)(c1ccc(I)cc1)c1ccc(Oc2ccc(S(=O)(=O)c3ccc(I)cc3)cc2)cc1
InChIInChI=1S/C24H16I2O5S2/c25-17-1-9-21(10-2-17)32(27,28)23-13-5-19(6-14-23)31-20-7-15-24(16-8-20)33(29,30)22-11-3-18(26)4-12-22/h1-16H
InChIKeyHHMCODBHHPJPGL-UHFFFAOYSA-N
XLogP6.35
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.33
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)sulfonyl-4-[4-(4-iodophenyl)sulfonylphenoxy]benzene?
The IUPAC name of 1-(4-iodophenyl)sulfonyl-4-[4-(4-iodophenyl)sulfonylphenoxy]benzene (CID 22336488) is 1-(4-iodophenyl)sulfonyl-4-[4-(4-iodophenyl)sulfonylphenoxy]benzene.
What is the SMILES notation for 1-(4-iodophenyl)sulfonyl-4-[4-(4-iodophenyl)sulfonylphenoxy]benzene?
The canonical SMILES for 1-(4-iodophenyl)sulfonyl-4-[4-(4-iodophenyl)sulfonylphenoxy]benzene is O=S(=O)(c1ccc(I)cc1)c1ccc(Oc2ccc(S(=O)(=O)c3ccc(I)cc3)cc2)cc1.
What is the InChIKey of 1-(4-iodophenyl)sulfonyl-4-[4-(4-iodophenyl)sulfonylphenoxy]benzene?
The InChIKey is HHMCODBHHPJPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16I2O5S2/c25-17-1-9-21(10-2-17)32(27,28)23-13-5-19(6-14-23)31-20-7-15-24(16-8-20)33(29,30)22-11-3-18(26)4-12-22/h1-16H.
What are the key properties of 1-(4-iodophenyl)sulfonyl-4-[4-(4-iodophenyl)sulfonylphenoxy]benzene?
1-(4-iodophenyl)sulfonyl-4-[4-(4-iodophenyl)sulfonylphenoxy]benzene has a molecular weight of 702.33 g/mol, XLogP of 6.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)sulfonyl-4-[4-(4-iodophenyl)sulfonylphenoxy]benzene is sourced from PubChem (CID 22336488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).