4-[4-[4-(4-aminophenyl)phenyl]sulfonylphenyl]aniline

C24H20N2O2S — CID 1379941

IUPAC4-[4-[4-(4-aminophenyl)phenyl]sulfonylphenyl]aniline
SMILESNc1ccc(-c2ccc(S(=O)(=O)c3ccc(-c4ccc(N)cc4)cc3)cc2)cc1
InChIInChI=1S/C24H20N2O2S/c25-21-9-1-17(2-10-21)19-5-13-23(14-6-19)29(27,28)24-15-7-20(8-16-24)18-3-11-22(26)12-4-18/h1-16H,25-26H2
InChIKeyCXASIZUKWKCVJC-UHFFFAOYSA-N
MW400.50 g/mol
LogP5.02
Rot. Bonds4

About 4-[4-[4-(4-aminophenyl)phenyl]sulfonylphenyl]aniline

4-[4-[4-(4-aminophenyl)phenyl]sulfonylphenyl]aniline (PubChem CID 1379941) has the molecular formula C24H20N2O2S and a molecular weight of 400.50 g/mol. Its IUPAC name is 4-[4-[4-(4-aminophenyl)phenyl]sulfonylphenyl]aniline.

Molecular Properties

Compound Name4-[4-[4-(4-aminophenyl)phenyl]sulfonylphenyl]aniline
PubChem CID1379941
Molecular FormulaC24H20N2O2S
Molecular Weight400.50 g/mol
Exact Mass400.12
IUPAC Name4-[4-[4-(4-aminophenyl)phenyl]sulfonylphenyl]aniline
SMILESNc1ccc(-c2ccc(S(=O)(=O)c3ccc(-c4ccc(N)cc4)cc3)cc2)cc1
InChIInChI=1S/C24H20N2O2S/c25-21-9-1-17(2-10-21)19-5-13-23(14-6-19)29(27,28)24-15-7-20(8-16-24)18-3-11-22(26)12-4-18/h1-16H,25-26H2
InChIKeyCXASIZUKWKCVJC-UHFFFAOYSA-N
XLogP5.02
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.50
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-aminophenyl)phenyl]sulfonylphenyl]aniline?
The IUPAC name of 4-[4-[4-(4-aminophenyl)phenyl]sulfonylphenyl]aniline (CID 1379941) is 4-[4-[4-(4-aminophenyl)phenyl]sulfonylphenyl]aniline.
What is the SMILES notation for 4-[4-[4-(4-aminophenyl)phenyl]sulfonylphenyl]aniline?
The canonical SMILES for 4-[4-[4-(4-aminophenyl)phenyl]sulfonylphenyl]aniline is Nc1ccc(-c2ccc(S(=O)(=O)c3ccc(-c4ccc(N)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[4-(4-aminophenyl)phenyl]sulfonylphenyl]aniline?
The InChIKey is CXASIZUKWKCVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2S/c25-21-9-1-17(2-10-21)19-5-13-23(14-6-19)29(27,28)24-15-7-20(8-16-24)18-3-11-22(26)12-4-18/h1-16H,25-26H2.
What are the key properties of 4-[4-[4-(4-aminophenyl)phenyl]sulfonylphenyl]aniline?
4-[4-[4-(4-aminophenyl)phenyl]sulfonylphenyl]aniline has a molecular weight of 400.50 g/mol, XLogP of 5.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-aminophenyl)phenyl]sulfonylphenyl]aniline is sourced from PubChem (CID 1379941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).