[4-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-nitrobenzenesulfonate

C24H17N3O6S — CID 6159627

IUPAC[4-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-nitrobenzenesulfonate
SMILESO=C(N/N=C\c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1cccc2ccccc12
InChIInChI=1S/C24H17N3O6S/c28-24(23-7-3-5-18-4-1-2-6-22(18)23)26-25-16-17-8-12-20(13-9-17)33-34(31,32)21-14-10-19(11-15-21)27(29)30/h1-16H,(H,26,28)/b25-16-
InChIKeyREFNBNKXUAXPCQ-XYGWBWBKSA-N
MW475.48 g/mol
LogP4.28
Rot. Bonds7

About [4-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-nitrobenzenesulfonate

[4-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-nitrobenzenesulfonate (PubChem CID 6159627) has the molecular formula C24H17N3O6S and a molecular weight of 475.48 g/mol. Its IUPAC name is [4-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-nitrobenzenesulfonate.

Molecular Properties

Compound Name[4-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-nitrobenzenesulfonate
PubChem CID6159627
Molecular FormulaC24H17N3O6S
Molecular Weight475.48 g/mol
Exact Mass475.08
IUPAC Name[4-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-nitrobenzenesulfonate
SMILESO=C(N/N=C\c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1cccc2ccccc12
InChIInChI=1S/C24H17N3O6S/c28-24(23-7-3-5-18-4-1-2-6-22(18)23)26-25-16-17-8-12-20(13-9-17)33-34(31,32)21-14-10-19(11-15-21)27(29)30/h1-16H,(H,26,28)/b25-16-
InChIKeyREFNBNKXUAXPCQ-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 [4-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-nitrobenzenesulfonate?
The IUPAC name of [4-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-nitrobenzenesulfonate (CID 6159627) is [4-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-nitrobenzenesulfonate.
What is the SMILES notation for [4-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-nitrobenzenesulfonate?
The canonical SMILES for [4-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-nitrobenzenesulfonate is O=C(N/N=C\c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1cccc2ccccc12.
What is the InChIKey of [4-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-nitrobenzenesulfonate?
The InChIKey is REFNBNKXUAXPCQ-XYGWBWBKSA-N. The full InChI is InChI=1S/C24H17N3O6S/c28-24(23-7-3-5-18-4-1-2-6-22(18)23)26-25-16-17-8-12-20(13-9-17)33-34(31,32)21-14-10-19(11-15-21)27(29)30/h1-16H,(H,26,28)/b25-16-.
What are the key properties of [4-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-nitrobenzenesulfonate?
[4-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 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 [4-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-nitrobenzenesulfonate is sourced from PubChem (CID 6159627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).