4-(4-bromophenyl)sulfonyl-2-dibenzofuran-4-ylaniline

C24H16BrNO3S — CID 134465391

IUPAC4-(4-bromophenyl)sulfonyl-2-dibenzofuran-4-ylaniline
SMILESNc1ccc(S(=O)(=O)c2ccc(Br)cc2)cc1-c1cccc2c1oc1ccccc12
InChIInChI=1S/C24H16BrNO3S/c25-15-8-10-16(11-9-15)30(27,28)17-12-13-22(26)21(14-17)20-6-3-5-19-18-4-1-2-7-23(18)29-24(19)20/h1-14H,26H2
InChIKeyITWKZAJLOPMYDV-UHFFFAOYSA-N
MW478.37 g/mol
LogP6.43
Rot. Bonds3

About 4-(4-bromophenyl)sulfonyl-2-dibenzofuran-4-ylaniline

4-(4-bromophenyl)sulfonyl-2-dibenzofuran-4-ylaniline (PubChem CID 134465391) has the molecular formula C24H16BrNO3S and a molecular weight of 478.37 g/mol. Its IUPAC name is 4-(4-bromophenyl)sulfonyl-2-dibenzofuran-4-ylaniline.

Molecular Properties

Compound Name4-(4-bromophenyl)sulfonyl-2-dibenzofuran-4-ylaniline
PubChem CID134465391
Molecular FormulaC24H16BrNO3S
Molecular Weight478.37 g/mol
Exact Mass477.00
IUPAC Name4-(4-bromophenyl)sulfonyl-2-dibenzofuran-4-ylaniline
SMILESNc1ccc(S(=O)(=O)c2ccc(Br)cc2)cc1-c1cccc2c1oc1ccccc12
InChIInChI=1S/C24H16BrNO3S/c25-15-8-10-16(11-9-15)30(27,28)17-12-13-22(26)21(14-17)20-6-3-5-19-18-4-1-2-7-23(18)29-24(19)20/h1-14H,26H2
InChIKeyITWKZAJLOPMYDV-UHFFFAOYSA-N
XLogP6.43
TPSA73.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.37
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-bromophenyl)dibenzofuran
CID 59022098
4-bromo-6-dibenzofuran-4-yldibenzofuran
CID 147905511
5-bromo-2-dibenzofuran-4-ylbenzoic acid
CID 122634670
4-(3-bromo-5-dibenzofuran-4-ylphenyl)dibenzofuran;methane
CID 142380453
4-bromodibenzofuran-3-amine
CID 142749742
2-dibenzofuran-4-ylaniline;sulfanylidene-[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
CID 159043639
3-dibenzofuran-4-ylnaphthalen-1-amine
CID 118534182
4-[3-bromo-5-(3,5-diphenylphenyl)phenyl]dibenzofuran
CID 142380750
(4-bromophenyl)-(3-dibenzofuran-4-ylphenyl)methanone
CID 66669293
2-chloro-5-dibenzofuran-4-ylaniline
CID 166567147
3,6-dibromo-9-(2-dibenzofuran-4-ylphenyl)carbazole
CID 169284938
4-bromoaniline;4-(4-dibenzofuran-4-ylnaphthalen-1-yl)aniline;(4-dibenzofuran-4-ylnaphthalen-1-yl)boronic acid
CID 167676389

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)sulfonyl-2-dibenzofuran-4-ylaniline?
The IUPAC name of 4-(4-bromophenyl)sulfonyl-2-dibenzofuran-4-ylaniline (CID 134465391) is 4-(4-bromophenyl)sulfonyl-2-dibenzofuran-4-ylaniline.
What is the SMILES notation for 4-(4-bromophenyl)sulfonyl-2-dibenzofuran-4-ylaniline?
The canonical SMILES for 4-(4-bromophenyl)sulfonyl-2-dibenzofuran-4-ylaniline is Nc1ccc(S(=O)(=O)c2ccc(Br)cc2)cc1-c1cccc2c1oc1ccccc12.
What is the InChIKey of 4-(4-bromophenyl)sulfonyl-2-dibenzofuran-4-ylaniline?
The InChIKey is ITWKZAJLOPMYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BrNO3S/c25-15-8-10-16(11-9-15)30(27,28)17-12-13-22(26)21(14-17)20-6-3-5-19-18-4-1-2-7-23(18)29-24(19)20/h1-14H,26H2.
What are the key properties of 4-(4-bromophenyl)sulfonyl-2-dibenzofuran-4-ylaniline?
4-(4-bromophenyl)sulfonyl-2-dibenzofuran-4-ylaniline has a molecular weight of 478.37 g/mol, XLogP of 6.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)sulfonyl-2-dibenzofuran-4-ylaniline is sourced from PubChem (CID 134465391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).