3-[4-[4-(3-aminophenyl)phenyl]sulfonylphenyl]aniline

C24H20N2O2S — CID 22394972

IUPAC3-[4-[4-(3-aminophenyl)phenyl]sulfonylphenyl]aniline
SMILESNc1cccc(-c2ccc(S(=O)(=O)c3ccc(-c4cccc(N)c4)cc3)cc2)c1
InChIInChI=1S/C24H20N2O2S/c25-21-5-1-3-19(15-21)17-7-11-23(12-8-17)29(27,28)24-13-9-18(10-14-24)20-4-2-6-22(26)16-20/h1-16H,25-26H2
InChIKeyIINISKNKFZOSTO-UHFFFAOYSA-N
MW400.50 g/mol
LogP5.02
Rot. Bonds4

About 3-[4-[4-(3-aminophenyl)phenyl]sulfonylphenyl]aniline

3-[4-[4-(3-aminophenyl)phenyl]sulfonylphenyl]aniline (PubChem CID 22394972) has the molecular formula C24H20N2O2S and a molecular weight of 400.50 g/mol. Its IUPAC name is 3-[4-[4-(3-aminophenyl)phenyl]sulfonylphenyl]aniline.

Molecular Properties

Compound Name3-[4-[4-(3-aminophenyl)phenyl]sulfonylphenyl]aniline
PubChem CID22394972
Molecular FormulaC24H20N2O2S
Molecular Weight400.50 g/mol
Exact Mass400.12
IUPAC Name3-[4-[4-(3-aminophenyl)phenyl]sulfonylphenyl]aniline
SMILESNc1cccc(-c2ccc(S(=O)(=O)c3ccc(-c4cccc(N)c4)cc3)cc2)c1
InChIInChI=1S/C24H20N2O2S/c25-21-5-1-3-19(15-21)17-7-11-23(12-8-17)29(27,28)24-13-9-18(10-14-24)20-4-2-6-22(26)16-20/h1-16H,25-26H2
InChIKeyIINISKNKFZOSTO-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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Related Compounds

sodium 4-(3-aminophenyl)phenolate
CID 174384003
3-(3-aminophenyl)aniline;sulfane
CID 175159845
3-(4-aminophenyl)aniline;(4-aminophenyl) benzenesulfonate
CID 175507273
3-[4-(aminomethyl)phenyl]aniline
CID 1394417
4-(3-aminophenyl)sulfonylbenzene-1,2-diamine;trihydrochloride
CID 19389409
4-(4-aminophenyl)sulfonylaniline;4-(4-chlorosulfonylphenyl)benzenesulfonyl chloride
CID 88770219
3-aminophenol;benzenesulfonylbenzene
CID 68932329
4-(3-aminophenyl)benzoic acid;hydrochloride
CID 2756354
1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
CID 58526721
1-methyl-4-(4-phenylphenyl)sulfonylbenzene
CID 2801718
boric acid;3-phenylaniline
CID 175929728
4-[4-[4-(4-aminophenoxy)phenyl]sulfonylphenoxy]aniline;1,1'-biphenyl
CID 160996826

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(3-aminophenyl)phenyl]sulfonylphenyl]aniline?
The IUPAC name of 3-[4-[4-(3-aminophenyl)phenyl]sulfonylphenyl]aniline (CID 22394972) is 3-[4-[4-(3-aminophenyl)phenyl]sulfonylphenyl]aniline.
What is the SMILES notation for 3-[4-[4-(3-aminophenyl)phenyl]sulfonylphenyl]aniline?
The canonical SMILES for 3-[4-[4-(3-aminophenyl)phenyl]sulfonylphenyl]aniline is Nc1cccc(-c2ccc(S(=O)(=O)c3ccc(-c4cccc(N)c4)cc3)cc2)c1.
What is the InChIKey of 3-[4-[4-(3-aminophenyl)phenyl]sulfonylphenyl]aniline?
The InChIKey is IINISKNKFZOSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2S/c25-21-5-1-3-19(15-21)17-7-11-23(12-8-17)29(27,28)24-13-9-18(10-14-24)20-4-2-6-22(26)16-20/h1-16H,25-26H2.
What are the key properties of 3-[4-[4-(3-aminophenyl)phenyl]sulfonylphenyl]aniline?
3-[4-[4-(3-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 3-[4-[4-(3-aminophenyl)phenyl]sulfonylphenyl]aniline is sourced from PubChem (CID 22394972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).