[1-[[(4-aminobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-nitrobenzenesulfonate

C24H18N4O6S — CID 3258149

IUPAC[1-[[(4-aminobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-nitrobenzenesulfonate
SMILESNc1ccc(C(=O)NN=Cc2c(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc3ccccc23)cc1
InChIInChI=1S/C24H18N4O6S/c25-18-8-5-17(6-9-18)24(29)27-26-15-22-21-4-2-1-3-16(21)7-14-23(22)34-35(32,33)20-12-10-19(11-13-20)28(30)31/h1-15H,25H2,(H,27,29)
InChIKeyOFSHQVKTPCEUEK-UHFFFAOYSA-N
MW490.50 g/mol
LogP3.86
Rot. Bonds7

About [1-[[(4-aminobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-nitrobenzenesulfonate

[1-[[(4-aminobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-nitrobenzenesulfonate (PubChem CID 3258149) has the molecular formula C24H18N4O6S and a molecular weight of 490.50 g/mol. Its IUPAC name is [1-[[(4-aminobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-nitrobenzenesulfonate.

Molecular Properties

Compound Name[1-[[(4-aminobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-nitrobenzenesulfonate
PubChem CID3258149
Molecular FormulaC24H18N4O6S
Molecular Weight490.50 g/mol
Exact Mass490.09
IUPAC Name[1-[[(4-aminobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-nitrobenzenesulfonate
SMILESNc1ccc(C(=O)NN=Cc2c(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc3ccccc23)cc1
InChIInChI=1S/C24H18N4O6S/c25-18-8-5-17(6-9-18)24(29)27-26-15-22-21-4-2-1-3-16(21)7-14-23(22)34-35(32,33)20-12-10-19(11-13-20)28(30)31/h1-15H,25H2,(H,27,29)
InChIKeyOFSHQVKTPCEUEK-UHFFFAOYSA-N
XLogP3.86
TPSA153.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.50
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze [1-[[(4-aminobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-nitrobenzenesulfonate 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

[1-[[(4-methylbenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 3-nitrobenzenesulfonate
CID 3589880
N-[(E)-[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-propoxybenzamide
CID 133169847
[1-[(1,3-dioxoisoindol-2-yl)iminomethyl]naphthalen-2-yl] 4-nitrobenzenesulfonate
CID 3618072
[2-[(carbamoylhydrazinylidene)methyl]phenyl] 4-nitrobenzenesulfonate
CID 2267655
[1-[(E)-[(3-nitrobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] acetate
CID 6875938
[1-[(carbamothioylhydrazinylidene)methyl]naphthalen-2-yl] 4-methylbenzenesulfonate
CID 3335321
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-[(4-nitrobenzoyl)amino]benzamide
CID 135567648
N-[(Z)-anthracen-9-ylmethylideneamino]-2-[(4-nitrobenzoyl)amino]benzamide
CID 126005035
[1-[[(3-bromobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 3-nitrobenzoate
CID 5138498
[1-[(E)-[(3-nitrobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
CID 45054435
[1-[(benzoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
CID 3442368
2-hydroxy-5-nitro-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzamide
CID 40565670

Frequently Asked Questions

What is the IUPAC name of [1-[[(4-aminobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-nitrobenzenesulfonate?
The IUPAC name of [1-[[(4-aminobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-nitrobenzenesulfonate (CID 3258149) is [1-[[(4-aminobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-nitrobenzenesulfonate.
What is the SMILES notation for [1-[[(4-aminobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-nitrobenzenesulfonate?
The canonical SMILES for [1-[[(4-aminobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-nitrobenzenesulfonate is Nc1ccc(C(=O)NN=Cc2c(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc3ccccc23)cc1.
What is the InChIKey of [1-[[(4-aminobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-nitrobenzenesulfonate?
The InChIKey is OFSHQVKTPCEUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O6S/c25-18-8-5-17(6-9-18)24(29)27-26-15-22-21-4-2-1-3-16(21)7-14-23(22)34-35(32,33)20-12-10-19(11-13-20)28(30)31/h1-15H,25H2,(H,27,29).
What are the key properties of [1-[[(4-aminobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-nitrobenzenesulfonate?
[1-[[(4-aminobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-nitrobenzenesulfonate has a molecular weight of 490.50 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(4-aminobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-nitrobenzenesulfonate is sourced from PubChem (CID 3258149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).