4-[4-[4-(4-aminophenoxy)phenyl]sulfonylphenoxy]aniline

C24H20N2O4S — CID 25689

IUPAC4-[4-[4-(4-aminophenoxy)phenyl]sulfonylphenoxy]aniline
SMILESNc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(N)cc4)cc3)cc2)cc1
InChIInChI=1S/C24H20N2O4S/c25-17-1-5-19(6-2-17)29-21-9-13-23(14-10-21)31(27,28)24-15-11-22(12-16-24)30-20-7-3-18(26)4-8-20/h1-16H,25-26H2
InChIKeyUTDAGHZGKXPRQI-UHFFFAOYSA-N
MW432.50 g/mol
LogP5.27
Rot. Bonds6

About 4-[4-[4-(4-aminophenoxy)phenyl]sulfonylphenoxy]aniline

4-[4-[4-(4-aminophenoxy)phenyl]sulfonylphenoxy]aniline (PubChem CID 25689) has the molecular formula C24H20N2O4S and a molecular weight of 432.50 g/mol. Its IUPAC name is 4-[4-[4-(4-aminophenoxy)phenyl]sulfonylphenoxy]aniline.

Molecular Properties

Compound Name4-[4-[4-(4-aminophenoxy)phenyl]sulfonylphenoxy]aniline
PubChem CID25689
Molecular FormulaC24H20N2O4S
Molecular Weight432.50 g/mol
Exact Mass432.11
IUPAC Name4-[4-[4-(4-aminophenoxy)phenyl]sulfonylphenoxy]aniline
SMILESNc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(N)cc4)cc3)cc2)cc1
InChIInChI=1S/C24H20N2O4S/c25-17-1-5-19(6-2-17)29-21-9-13-23(14-10-21)31(27,28)24-15-11-22(12-16-24)30-20-7-3-18(26)4-8-20/h1-16H,25-26H2
InChIKeyUTDAGHZGKXPRQI-UHFFFAOYSA-N
XLogP5.27
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.50
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-aminophenoxy)phenyl]sulfonylphenoxy]aniline?
The IUPAC name of 4-[4-[4-(4-aminophenoxy)phenyl]sulfonylphenoxy]aniline (CID 25689) is 4-[4-[4-(4-aminophenoxy)phenyl]sulfonylphenoxy]aniline.
What is the SMILES notation for 4-[4-[4-(4-aminophenoxy)phenyl]sulfonylphenoxy]aniline?
The canonical SMILES for 4-[4-[4-(4-aminophenoxy)phenyl]sulfonylphenoxy]aniline is Nc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(N)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[4-(4-aminophenoxy)phenyl]sulfonylphenoxy]aniline?
The InChIKey is UTDAGHZGKXPRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4S/c25-17-1-5-19(6-2-17)29-21-9-13-23(14-10-21)31(27,28)24-15-11-22(12-16-24)30-20-7-3-18(26)4-8-20/h1-16H,25-26H2.
What are the key properties of 4-[4-[4-(4-aminophenoxy)phenyl]sulfonylphenoxy]aniline?
4-[4-[4-(4-aminophenoxy)phenyl]sulfonylphenoxy]aniline has a molecular weight of 432.50 g/mol, XLogP of 5.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-aminophenoxy)phenyl]sulfonylphenoxy]aniline is sourced from PubChem (CID 25689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).