4-(1,2-dihydroacenaphthylen-5-ylmethylideneamino)-N-pyridin-2-ylbenzenesulfonamide

C24H19N3O2S — CID 5060385

IUPAC4-(1,2-dihydroacenaphthylen-5-ylmethylideneamino)-N-pyridin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccn1)c1ccc(/N=C/c2ccc3c4c(cccc24)CC3)cc1
InChIInChI=1S/C24H19N3O2S/c28-30(29,27-23-6-1-2-15-25-23)21-13-11-20(12-14-21)26-16-19-10-9-18-8-7-17-4-3-5-22(19)24(17)18/h1-6,9-16H,7-8H2,(H,25,27)/b26-16+
InChIKeyYSTAFYIDMIPTFL-WGOQTCKBSA-N
MW413.50 g/mol
LogP4.88
Rot. Bonds5

About 4-(1,2-dihydroacenaphthylen-5-ylmethylideneamino)-N-pyridin-2-ylbenzenesulfonamide

4-(1,2-dihydroacenaphthylen-5-ylmethylideneamino)-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 5060385) has the molecular formula C24H19N3O2S and a molecular weight of 413.50 g/mol. Its IUPAC name is 4-(1,2-dihydroacenaphthylen-5-ylmethylideneamino)-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(1,2-dihydroacenaphthylen-5-ylmethylideneamino)-N-pyridin-2-ylbenzenesulfonamide
PubChem CID5060385
Molecular FormulaC24H19N3O2S
Molecular Weight413.50 g/mol
Exact Mass413.12
IUPAC Name4-(1,2-dihydroacenaphthylen-5-ylmethylideneamino)-N-pyridin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccn1)c1ccc(/N=C/c2ccc3c4c(cccc24)CC3)cc1
InChIInChI=1S/C24H19N3O2S/c28-30(29,27-23-6-1-2-15-25-23)21-13-11-20(12-14-21)26-16-19-10-9-18-8-7-17-4-3-5-22(19)24(17)18/h1-6,9-16H,7-8H2,(H,25,27)/b26-16+
InChIKeyYSTAFYIDMIPTFL-WGOQTCKBSA-N
XLogP4.88
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-(1,2-dihydroacenaphthylen-5-ylmethylideneamino)-N-pyridin-2-ylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide
CID 135860245
4-amino-N-pyridin-2-ylbenzenesulfonamide;hydrochloride
CID 68756822
N-pyridin-2-yl-4-(quinazolin-4-ylamino)benzenesulfonamide
CID 16805620
4-[(4-ethoxy-3-phenylmethoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide
CID 21212200
4-[(1-hydroxynaphthalen-2-yl)methylideneamino]-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide
CID 135692926
4-[(4-methoxy-3,5-dimethylphenyl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide
CID 72735611
4-amino-N-pyridin-2-ylbenzenesulfonamide;molecular nitrogen
CID 174728998
4-(2-methylcyclopropyl)-N-pyridin-2-ylbenzenesulfonamide
CID 142447089
4-(2-methylbutan-2-yl)-N-pyridin-2-ylbenzenesulfonamide
CID 3809998
4-[(2,3-dimethoxyphenyl)methylideneamino]-N-pyridin-3-ylbenzenesulfonamide
CID 28589297
4-propyl-N-pyridin-2-ylbenzenesulfonamide
CID 3269642
N-[4-(pyridin-2-ylsulfamoyl)phenyl]naphthalene-1-carboxamide
CID 19204277

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-dihydroacenaphthylen-5-ylmethylideneamino)-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-(1,2-dihydroacenaphthylen-5-ylmethylideneamino)-N-pyridin-2-ylbenzenesulfonamide (CID 5060385) is 4-(1,2-dihydroacenaphthylen-5-ylmethylideneamino)-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(1,2-dihydroacenaphthylen-5-ylmethylideneamino)-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(1,2-dihydroacenaphthylen-5-ylmethylideneamino)-N-pyridin-2-ylbenzenesulfonamide is O=S(=O)(Nc1ccccn1)c1ccc(/N=C/c2ccc3c4c(cccc24)CC3)cc1.
What is the InChIKey of 4-(1,2-dihydroacenaphthylen-5-ylmethylideneamino)-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is YSTAFYIDMIPTFL-WGOQTCKBSA-N. The full InChI is InChI=1S/C24H19N3O2S/c28-30(29,27-23-6-1-2-15-25-23)21-13-11-20(12-14-21)26-16-19-10-9-18-8-7-17-4-3-5-22(19)24(17)18/h1-6,9-16H,7-8H2,(H,25,27)/b26-16+.
What are the key properties of 4-(1,2-dihydroacenaphthylen-5-ylmethylideneamino)-N-pyridin-2-ylbenzenesulfonamide?
4-(1,2-dihydroacenaphthylen-5-ylmethylideneamino)-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 413.50 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dihydroacenaphthylen-5-ylmethylideneamino)-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 5060385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).