2,4-dibromo-1-(3-bromophenyl)sulfonylbenzene

C12H7Br3O2S — CID 101290811

IUPAC2,4-dibromo-1-(3-bromophenyl)sulfonylbenzene
SMILESO=S(=O)(c1cccc(Br)c1)c1ccc(Br)cc1Br
InChIInChI=1S/C12H7Br3O2S/c13-8-2-1-3-10(6-8)18(16,17)12-5-4-9(14)7-11(12)15/h1-7H
InChIKeyYBTFJIXLRQJEGB-UHFFFAOYSA-N
MW454.97 g/mol
LogP4.81
Rot. Bonds2

About 2,4-dibromo-1-(3-bromophenyl)sulfonylbenzene

2,4-dibromo-1-(3-bromophenyl)sulfonylbenzene (PubChem CID 101290811) has the molecular formula C12H7Br3O2S and a molecular weight of 454.97 g/mol. Its IUPAC name is 2,4-dibromo-1-(3-bromophenyl)sulfonylbenzene.

Molecular Properties

Compound Name2,4-dibromo-1-(3-bromophenyl)sulfonylbenzene
PubChem CID101290811
Molecular FormulaC12H7Br3O2S
Molecular Weight454.97 g/mol
Exact Mass451.77
IUPAC Name2,4-dibromo-1-(3-bromophenyl)sulfonylbenzene
SMILESO=S(=O)(c1cccc(Br)c1)c1ccc(Br)cc1Br
InChIInChI=1S/C12H7Br3O2S/c13-8-2-1-3-10(6-8)18(16,17)12-5-4-9(14)7-11(12)15/h1-7H
InChIKeyYBTFJIXLRQJEGB-UHFFFAOYSA-N
XLogP4.81
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.97
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1-(3-bromophenyl)sulfonylbenzene?
The IUPAC name of 2,4-dibromo-1-(3-bromophenyl)sulfonylbenzene (CID 101290811) is 2,4-dibromo-1-(3-bromophenyl)sulfonylbenzene.
What is the SMILES notation for 2,4-dibromo-1-(3-bromophenyl)sulfonylbenzene?
The canonical SMILES for 2,4-dibromo-1-(3-bromophenyl)sulfonylbenzene is O=S(=O)(c1cccc(Br)c1)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-1-(3-bromophenyl)sulfonylbenzene?
The InChIKey is YBTFJIXLRQJEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br3O2S/c13-8-2-1-3-10(6-8)18(16,17)12-5-4-9(14)7-11(12)15/h1-7H.
What are the key properties of 2,4-dibromo-1-(3-bromophenyl)sulfonylbenzene?
2,4-dibromo-1-(3-bromophenyl)sulfonylbenzene has a molecular weight of 454.97 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-1-(3-bromophenyl)sulfonylbenzene is sourced from PubChem (CID 101290811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).