[1-[(Z)-(benzoylhydrazinylidene)methyl]naphthalen-2-yl] 4-nitrobenzenesulfonate

C24H17N3O6S — CID 6149231

IUPAC[1-[(Z)-(benzoylhydrazinylidene)methyl]naphthalen-2-yl] 4-nitrobenzenesulfonate
SMILESO=C(N/N=C\c1c(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C24H17N3O6S/c28-24(18-7-2-1-3-8-18)26-25-16-22-21-9-5-4-6-17(21)10-15-23(22)33-34(31,32)20-13-11-19(12-14-20)27(29)30/h1-16H,(H,26,28)/b25-16-
InChIKeyRGMDYGPGSIBQQA-XYGWBWBKSA-N
MW475.48 g/mol
LogP4.28
Rot. Bonds7

About [1-[(Z)-(benzoylhydrazinylidene)methyl]naphthalen-2-yl] 4-nitrobenzenesulfonate

[1-[(Z)-(benzoylhydrazinylidene)methyl]naphthalen-2-yl] 4-nitrobenzenesulfonate (PubChem CID 6149231) has the molecular formula C24H17N3O6S and a molecular weight of 475.48 g/mol. Its IUPAC name is [1-[(Z)-(benzoylhydrazinylidene)methyl]naphthalen-2-yl] 4-nitrobenzenesulfonate.

Molecular Properties

Compound Name[1-[(Z)-(benzoylhydrazinylidene)methyl]naphthalen-2-yl] 4-nitrobenzenesulfonate
PubChem CID6149231
Molecular FormulaC24H17N3O6S
Molecular Weight475.48 g/mol
Exact Mass475.08
IUPAC Name[1-[(Z)-(benzoylhydrazinylidene)methyl]naphthalen-2-yl] 4-nitrobenzenesulfonate
SMILESO=C(N/N=C\c1c(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C24H17N3O6S/c28-24(18-7-2-1-3-8-18)26-25-16-22-21-9-5-4-6-17(21)10-15-23(22)33-34(31,32)20-13-11-19(12-14-20)27(29)30/h1-16H,(H,26,28)/b25-16-
InChIKeyRGMDYGPGSIBQQA-XYGWBWBKSA-N
XLogP4.28
TPSA127.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.48
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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'}

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Frequently Asked Questions

What is the IUPAC name of [1-[(Z)-(benzoylhydrazinylidene)methyl]naphthalen-2-yl] 4-nitrobenzenesulfonate?
The IUPAC name of [1-[(Z)-(benzoylhydrazinylidene)methyl]naphthalen-2-yl] 4-nitrobenzenesulfonate (CID 6149231) is [1-[(Z)-(benzoylhydrazinylidene)methyl]naphthalen-2-yl] 4-nitrobenzenesulfonate.
What is the SMILES notation for [1-[(Z)-(benzoylhydrazinylidene)methyl]naphthalen-2-yl] 4-nitrobenzenesulfonate?
The canonical SMILES for [1-[(Z)-(benzoylhydrazinylidene)methyl]naphthalen-2-yl] 4-nitrobenzenesulfonate is O=C(N/N=C\c1c(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc2ccccc12)c1ccccc1.
What is the InChIKey of [1-[(Z)-(benzoylhydrazinylidene)methyl]naphthalen-2-yl] 4-nitrobenzenesulfonate?
The InChIKey is RGMDYGPGSIBQQA-XYGWBWBKSA-N. The full InChI is InChI=1S/C24H17N3O6S/c28-24(18-7-2-1-3-8-18)26-25-16-22-21-9-5-4-6-17(21)10-15-23(22)33-34(31,32)20-13-11-19(12-14-20)27(29)30/h1-16H,(H,26,28)/b25-16-.
What are the key properties of [1-[(Z)-(benzoylhydrazinylidene)methyl]naphthalen-2-yl] 4-nitrobenzenesulfonate?
[1-[(Z)-(benzoylhydrazinylidene)methyl]naphthalen-2-yl] 4-nitrobenzenesulfonate has a molecular weight of 475.48 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(Z)-(benzoylhydrazinylidene)methyl]naphthalen-2-yl] 4-nitrobenzenesulfonate is sourced from PubChem (CID 6149231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).