4-bromo-1-[4-bromo-2-(diiodomethyl)phenyl]sulfonyl-2-(diiodomethyl)benzene

C14H8Br2I4O2S — CID 155661812

IUPAC4-bromo-1-[4-bromo-2-(diiodomethyl)phenyl]sulfonyl-2-(diiodomethyl)benzene
SMILESO=S(=O)(c1ccc(Br)cc1C(I)I)c1ccc(Br)cc1C(I)I
InChIInChI=1S/C14H8Br2I4O2S/c15-7-1-3-11(9(5-7)13(17)18)23(21,22)12-4-2-8(16)6-10(12)14(19)20/h1-6,13-14H
InChIKeyPBSPJQTUWDLSFP-UHFFFAOYSA-N
MW907.71 g/mol
LogP7.78
Rot. Bonds4

About 4-bromo-1-[4-bromo-2-(diiodomethyl)phenyl]sulfonyl-2-(diiodomethyl)benzene

4-bromo-1-[4-bromo-2-(diiodomethyl)phenyl]sulfonyl-2-(diiodomethyl)benzene (PubChem CID 155661812) has the molecular formula C14H8Br2I4O2S and a molecular weight of 907.71 g/mol. Its IUPAC name is 4-bromo-1-[4-bromo-2-(diiodomethyl)phenyl]sulfonyl-2-(diiodomethyl)benzene.

Molecular Properties

Compound Name4-bromo-1-[4-bromo-2-(diiodomethyl)phenyl]sulfonyl-2-(diiodomethyl)benzene
PubChem CID155661812
Molecular FormulaC14H8Br2I4O2S
Molecular Weight907.71 g/mol
Exact Mass905.48
IUPAC Name4-bromo-1-[4-bromo-2-(diiodomethyl)phenyl]sulfonyl-2-(diiodomethyl)benzene
SMILESO=S(=O)(c1ccc(Br)cc1C(I)I)c1ccc(Br)cc1C(I)I
InChIInChI=1S/C14H8Br2I4O2S/c15-7-1-3-11(9(5-7)13(17)18)23(21,22)12-4-2-8(16)6-10(12)14(19)20/h1-6,13-14H
InChIKeyPBSPJQTUWDLSFP-UHFFFAOYSA-N
XLogP7.78
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.71
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[4-bromo-2-(diiodomethyl)phenyl]sulfonyl-2-(diiodomethyl)benzene?
The IUPAC name of 4-bromo-1-[4-bromo-2-(diiodomethyl)phenyl]sulfonyl-2-(diiodomethyl)benzene (CID 155661812) is 4-bromo-1-[4-bromo-2-(diiodomethyl)phenyl]sulfonyl-2-(diiodomethyl)benzene.
What is the SMILES notation for 4-bromo-1-[4-bromo-2-(diiodomethyl)phenyl]sulfonyl-2-(diiodomethyl)benzene?
The canonical SMILES for 4-bromo-1-[4-bromo-2-(diiodomethyl)phenyl]sulfonyl-2-(diiodomethyl)benzene is O=S(=O)(c1ccc(Br)cc1C(I)I)c1ccc(Br)cc1C(I)I.
What is the InChIKey of 4-bromo-1-[4-bromo-2-(diiodomethyl)phenyl]sulfonyl-2-(diiodomethyl)benzene?
The InChIKey is PBSPJQTUWDLSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2I4O2S/c15-7-1-3-11(9(5-7)13(17)18)23(21,22)12-4-2-8(16)6-10(12)14(19)20/h1-6,13-14H.
What are the key properties of 4-bromo-1-[4-bromo-2-(diiodomethyl)phenyl]sulfonyl-2-(diiodomethyl)benzene?
4-bromo-1-[4-bromo-2-(diiodomethyl)phenyl]sulfonyl-2-(diiodomethyl)benzene has a molecular weight of 907.71 g/mol, XLogP of 7.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[4-bromo-2-(diiodomethyl)phenyl]sulfonyl-2-(diiodomethyl)benzene is sourced from PubChem (CID 155661812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).