1-bromo-4-(4-bromo-3-phenylphenyl)sulfonyl-2-phenylbenzene

C24H16Br2O2S — CID 59266839

IUPAC1-bromo-4-(4-bromo-3-phenylphenyl)sulfonyl-2-phenylbenzene
SMILESO=S(=O)(c1ccc(Br)c(-c2ccccc2)c1)c1ccc(Br)c(-c2ccccc2)c1
InChIInChI=1S/C24H16Br2O2S/c25-23-13-11-19(15-21(23)17-7-3-1-4-8-17)29(27,28)20-12-14-24(26)22(16-20)18-9-5-2-6-10-18/h1-16H
InChIKeyFRJPPEYXSOUYTL-UHFFFAOYSA-N
MW528.27 g/mol
LogP7.38
Rot. Bonds4

About 1-bromo-4-(4-bromo-3-phenylphenyl)sulfonyl-2-phenylbenzene

1-bromo-4-(4-bromo-3-phenylphenyl)sulfonyl-2-phenylbenzene (PubChem CID 59266839) has the molecular formula C24H16Br2O2S and a molecular weight of 528.27 g/mol. Its IUPAC name is 1-bromo-4-(4-bromo-3-phenylphenyl)sulfonyl-2-phenylbenzene.

Molecular Properties

Compound Name1-bromo-4-(4-bromo-3-phenylphenyl)sulfonyl-2-phenylbenzene
PubChem CID59266839
Molecular FormulaC24H16Br2O2S
Molecular Weight528.27 g/mol
Exact Mass525.92
IUPAC Name1-bromo-4-(4-bromo-3-phenylphenyl)sulfonyl-2-phenylbenzene
SMILESO=S(=O)(c1ccc(Br)c(-c2ccccc2)c1)c1ccc(Br)c(-c2ccccc2)c1
InChIInChI=1S/C24H16Br2O2S/c25-23-13-11-19(15-21(23)17-7-3-1-4-8-17)29(27,28)20-12-14-24(26)22(16-20)18-9-5-2-6-10-18/h1-16H
InChIKeyFRJPPEYXSOUYTL-UHFFFAOYSA-N
XLogP7.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.27
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4-bromo-3-phenylphenyl)sulfonyl-2-phenylbenzene?
The IUPAC name of 1-bromo-4-(4-bromo-3-phenylphenyl)sulfonyl-2-phenylbenzene (CID 59266839) is 1-bromo-4-(4-bromo-3-phenylphenyl)sulfonyl-2-phenylbenzene.
What is the SMILES notation for 1-bromo-4-(4-bromo-3-phenylphenyl)sulfonyl-2-phenylbenzene?
The canonical SMILES for 1-bromo-4-(4-bromo-3-phenylphenyl)sulfonyl-2-phenylbenzene is O=S(=O)(c1ccc(Br)c(-c2ccccc2)c1)c1ccc(Br)c(-c2ccccc2)c1.
What is the InChIKey of 1-bromo-4-(4-bromo-3-phenylphenyl)sulfonyl-2-phenylbenzene?
The InChIKey is FRJPPEYXSOUYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Br2O2S/c25-23-13-11-19(15-21(23)17-7-3-1-4-8-17)29(27,28)20-12-14-24(26)22(16-20)18-9-5-2-6-10-18/h1-16H.
What are the key properties of 1-bromo-4-(4-bromo-3-phenylphenyl)sulfonyl-2-phenylbenzene?
1-bromo-4-(4-bromo-3-phenylphenyl)sulfonyl-2-phenylbenzene has a molecular weight of 528.27 g/mol, XLogP of 7.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(4-bromo-3-phenylphenyl)sulfonyl-2-phenylbenzene is sourced from PubChem (CID 59266839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).