3-(4-aminophenyl)sulfanyl-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione

C22H18N4O2S — CID 19631153

IUPAC3-(4-aminophenyl)sulfanyl-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
SMILESNc1ccc(SC2CC(=O)N(c3ccc(/N=N/c4ccccc4)cc3)C2=O)cc1
InChIInChI=1S/C22H18N4O2S/c23-15-6-12-19(13-7-15)29-20-14-21(27)26(22(20)28)18-10-8-17(9-11-18)25-24-16-4-2-1-3-5-16/h1-13,20H,14,23H2/b25-24+
InChIKeyGAFJJSYOYXYHJG-OCOZRVBESA-N
MW402.48 g/mol
LogP5.11
Rot. Bonds5

About 3-(4-aminophenyl)sulfanyl-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione

3-(4-aminophenyl)sulfanyl-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione (PubChem CID 19631153) has the molecular formula C22H18N4O2S and a molecular weight of 402.48 g/mol. Its IUPAC name is 3-(4-aminophenyl)sulfanyl-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-aminophenyl)sulfanyl-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
PubChem CID19631153
Molecular FormulaC22H18N4O2S
Molecular Weight402.48 g/mol
Exact Mass402.12
IUPAC Name3-(4-aminophenyl)sulfanyl-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione
SMILESNc1ccc(SC2CC(=O)N(c3ccc(/N=N/c4ccccc4)cc3)C2=O)cc1
InChIInChI=1S/C22H18N4O2S/c23-15-6-12-19(13-7-15)29-20-14-21(27)26(22(20)28)18-10-8-17(9-11-18)25-24-16-4-2-1-3-5-16/h1-13,20H,14,23H2/b25-24+
InChIKeyGAFJJSYOYXYHJG-OCOZRVBESA-N
XLogP5.11
TPSA88.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.48
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-(4-aminophenyl)sulfanyl-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)sulfanyl-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(4-aminophenyl)sulfanyl-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione (CID 19631153) is 3-(4-aminophenyl)sulfanyl-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-aminophenyl)sulfanyl-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-aminophenyl)sulfanyl-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione is Nc1ccc(SC2CC(=O)N(c3ccc(/N=N/c4ccccc4)cc3)C2=O)cc1.
What is the InChIKey of 3-(4-aminophenyl)sulfanyl-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione?
The InChIKey is GAFJJSYOYXYHJG-OCOZRVBESA-N. The full InChI is InChI=1S/C22H18N4O2S/c23-15-6-12-19(13-7-15)29-20-14-21(27)26(22(20)28)18-10-8-17(9-11-18)25-24-16-4-2-1-3-5-16/h1-13,20H,14,23H2/b25-24+.
What are the key properties of 3-(4-aminophenyl)sulfanyl-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione?
3-(4-aminophenyl)sulfanyl-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione has a molecular weight of 402.48 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)sulfanyl-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 19631153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).