1-iodo-4-[2-[2-(4-iodophenyl)ethenylsulfonyl]ethenyl]benzene

C16H12I2O2S — CID 139796527

IUPAC1-iodo-4-[2-[2-(4-iodophenyl)ethenylsulfonyl]ethenyl]benzene
SMILESO=S(=O)(C=Cc1ccc(I)cc1)C=Cc1ccc(I)cc1
InChIInChI=1S/C16H12I2O2S/c17-15-5-1-13(2-6-15)9-11-21(19,20)12-10-14-3-7-16(18)8-4-14/h1-12H
InChIKeyFPXQUDPZPWHAPX-UHFFFAOYSA-N
MW522.15 g/mol
LogP4.95
Rot. Bonds4

About 1-iodo-4-[2-[2-(4-iodophenyl)ethenylsulfonyl]ethenyl]benzene

1-iodo-4-[2-[2-(4-iodophenyl)ethenylsulfonyl]ethenyl]benzene (PubChem CID 139796527) has the molecular formula C16H12I2O2S and a molecular weight of 522.15 g/mol. Its IUPAC name is 1-iodo-4-[2-[2-(4-iodophenyl)ethenylsulfonyl]ethenyl]benzene.

Molecular Properties

Compound Name1-iodo-4-[2-[2-(4-iodophenyl)ethenylsulfonyl]ethenyl]benzene
PubChem CID139796527
Molecular FormulaC16H12I2O2S
Molecular Weight522.15 g/mol
Exact Mass521.86
IUPAC Name1-iodo-4-[2-[2-(4-iodophenyl)ethenylsulfonyl]ethenyl]benzene
SMILESO=S(=O)(C=Cc1ccc(I)cc1)C=Cc1ccc(I)cc1
InChIInChI=1S/C16H12I2O2S/c17-15-5-1-13(2-6-15)9-11-21(19,20)12-10-14-3-7-16(18)8-4-14/h1-12H
InChIKeyFPXQUDPZPWHAPX-UHFFFAOYSA-N
XLogP4.95
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.15
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-iodo-4-[2-[2-(4-iodophenyl)ethenylsulfonyl]ethenyl]benzene?
The IUPAC name of 1-iodo-4-[2-[2-(4-iodophenyl)ethenylsulfonyl]ethenyl]benzene (CID 139796527) is 1-iodo-4-[2-[2-(4-iodophenyl)ethenylsulfonyl]ethenyl]benzene.
What is the SMILES notation for 1-iodo-4-[2-[2-(4-iodophenyl)ethenylsulfonyl]ethenyl]benzene?
The canonical SMILES for 1-iodo-4-[2-[2-(4-iodophenyl)ethenylsulfonyl]ethenyl]benzene is O=S(=O)(C=Cc1ccc(I)cc1)C=Cc1ccc(I)cc1.
What is the InChIKey of 1-iodo-4-[2-[2-(4-iodophenyl)ethenylsulfonyl]ethenyl]benzene?
The InChIKey is FPXQUDPZPWHAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12I2O2S/c17-15-5-1-13(2-6-15)9-11-21(19,20)12-10-14-3-7-16(18)8-4-14/h1-12H.
What are the key properties of 1-iodo-4-[2-[2-(4-iodophenyl)ethenylsulfonyl]ethenyl]benzene?
1-iodo-4-[2-[2-(4-iodophenyl)ethenylsulfonyl]ethenyl]benzene has a molecular weight of 522.15 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-[2-[2-(4-iodophenyl)ethenylsulfonyl]ethenyl]benzene is sourced from PubChem (CID 139796527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).