2,4-dichloro-1-[2,2-dibromo-2-[1,1-dibromo-2-(2,4-dichlorophenyl)ethyl]sulfonylethyl]benzene

C16H10Br4Cl4O2S — CID 87151632

IUPAC2,4-dichloro-1-[2,2-dibromo-2-[1,1-dibromo-2-(2,4-dichlorophenyl)ethyl]sulfonylethyl]benzene
SMILESO=S(=O)(C(Br)(Br)Cc1ccc(Cl)cc1Cl)C(Br)(Br)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H10Br4Cl4O2S/c17-15(18,7-9-1-3-11(21)5-13(9)23)27(25,26)16(19,20)8-10-2-4-12(22)6-14(10)24/h1-6H,7-8H2
InChIKeyASZOXXYBLZODEX-UHFFFAOYSA-N
MW727.75 g/mol
LogP8.39
Rot. Bonds6

About 2,4-dichloro-1-[2,2-dibromo-2-[1,1-dibromo-2-(2,4-dichlorophenyl)ethyl]sulfonylethyl]benzene

2,4-dichloro-1-[2,2-dibromo-2-[1,1-dibromo-2-(2,4-dichlorophenyl)ethyl]sulfonylethyl]benzene (PubChem CID 87151632) has the molecular formula C16H10Br4Cl4O2S and a molecular weight of 727.75 g/mol. Its IUPAC name is 2,4-dichloro-1-[2,2-dibromo-2-[1,1-dibromo-2-(2,4-dichlorophenyl)ethyl]sulfonylethyl]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[2,2-dibromo-2-[1,1-dibromo-2-(2,4-dichlorophenyl)ethyl]sulfonylethyl]benzene
PubChem CID87151632
Molecular FormulaC16H10Br4Cl4O2S
Molecular Weight727.75 g/mol
Exact Mass721.59
IUPAC Name2,4-dichloro-1-[2,2-dibromo-2-[1,1-dibromo-2-(2,4-dichlorophenyl)ethyl]sulfonylethyl]benzene
SMILESO=S(=O)(C(Br)(Br)Cc1ccc(Cl)cc1Cl)C(Br)(Br)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H10Br4Cl4O2S/c17-15(18,7-9-1-3-11(21)5-13(9)23)27(25,26)16(19,20)8-10-2-4-12(22)6-14(10)24/h1-6H,7-8H2
InChIKeyASZOXXYBLZODEX-UHFFFAOYSA-N
XLogP8.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.75
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1-dibromo-2-(2,4-dichlorophenyl)ethanesulfinic acid
CID 66789276
2,4-dichloro-1-[1,1-dichloro-2-(2,4-dichlorophenyl)ethyl]benzene
CID 122575608
1-[3-bromo-2-(bromomethyl)-2-(4-chlorophenyl)propyl]-2,4-dichlorobenzene
CID 79446063
1-[2,2-bis(chloromethyl)butyl]-2,4-dichlorobenzene
CID 79447331
(2,4-dichlorophenyl)methylphosphane
CID 134447961
2-[(2,4-dichlorophenyl)methylsulfonyl]ethanol
CID 82181727
[1-(2,4-dichlorophenyl)-2-methylpropan-2-yl]-hydroxy-dimethylsilane
CID 70809258
2-(2,4-dichlorophenyl)acetaldehyde
CID 15948879
4-bromo-2-[(2,4-dichlorophenyl)methylsulfonyl]aniline
CID 81207755
(2S)-2-amino-2-[(2,4-dichlorophenyl)methyl]-3,3-dimethylbutanoic acid
CID 159514027
2,4-dichloro-1-(2,2-dimethylheptyl)benzene
CID 134535823
4-amino-N-[(2,4-dichlorophenyl)methyl]benzenesulfonamide
CID 9150223

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[2,2-dibromo-2-[1,1-dibromo-2-(2,4-dichlorophenyl)ethyl]sulfonylethyl]benzene?
The IUPAC name of 2,4-dichloro-1-[2,2-dibromo-2-[1,1-dibromo-2-(2,4-dichlorophenyl)ethyl]sulfonylethyl]benzene (CID 87151632) is 2,4-dichloro-1-[2,2-dibromo-2-[1,1-dibromo-2-(2,4-dichlorophenyl)ethyl]sulfonylethyl]benzene.
What is the SMILES notation for 2,4-dichloro-1-[2,2-dibromo-2-[1,1-dibromo-2-(2,4-dichlorophenyl)ethyl]sulfonylethyl]benzene?
The canonical SMILES for 2,4-dichloro-1-[2,2-dibromo-2-[1,1-dibromo-2-(2,4-dichlorophenyl)ethyl]sulfonylethyl]benzene is O=S(=O)(C(Br)(Br)Cc1ccc(Cl)cc1Cl)C(Br)(Br)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-[2,2-dibromo-2-[1,1-dibromo-2-(2,4-dichlorophenyl)ethyl]sulfonylethyl]benzene?
The InChIKey is ASZOXXYBLZODEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Br4Cl4O2S/c17-15(18,7-9-1-3-11(21)5-13(9)23)27(25,26)16(19,20)8-10-2-4-12(22)6-14(10)24/h1-6H,7-8H2.
What are the key properties of 2,4-dichloro-1-[2,2-dibromo-2-[1,1-dibromo-2-(2,4-dichlorophenyl)ethyl]sulfonylethyl]benzene?
2,4-dichloro-1-[2,2-dibromo-2-[1,1-dibromo-2-(2,4-dichlorophenyl)ethyl]sulfonylethyl]benzene has a molecular weight of 727.75 g/mol, XLogP of 8.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-[2,2-dibromo-2-[1,1-dibromo-2-(2,4-dichlorophenyl)ethyl]sulfonylethyl]benzene is sourced from PubChem (CID 87151632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).