disodium;5-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[4-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfonatophenyl]benzenesulfonate

C32H20N4Na2O8S2 — CID 22833483

IUPACdisodium;5-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[4-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfonatophenyl]benzenesulfonate
SMILESO=C1C=Cc2ccccc2/C1=N/Nc1ccc(-c2ccc(N/N=C3/C(=O)C=Cc4ccccc43)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]
InChIInChI=1S/C32H22N4O8S2.2Na/c37-27-15-9-19-5-1-3-7-23(19)31(27)35-33-21-11-13-25(29(17-21)45(39,40)41)26-14-12-22(18-30(26)46(42,43)44)34-36-32-24-8-4-2-6-20(24)10-16-28(32)38;;/h1-18,33-34H,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/b35-31-,36-32+;;
InChIKeyUJLOYSKARDZKTC-SENFDEEKSA-L
MW698.65 g/mol
LogP-2.01
Rot. Bonds7

About disodium;5-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[4-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfonatophenyl]benzenesulfonate

disodium;5-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[4-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfonatophenyl]benzenesulfonate (PubChem CID 22833483) has the molecular formula C32H20N4Na2O8S2 and a molecular weight of 698.65 g/mol. Its IUPAC name is disodium;5-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[4-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfonatophenyl]benzenesulfonate.

Molecular Properties

Compound Namedisodium;5-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[4-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfonatophenyl]benzenesulfonate
PubChem CID22833483
Molecular FormulaC32H20N4Na2O8S2
Molecular Weight698.65 g/mol
Exact Mass698.05
IUPAC Namedisodium;5-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[4-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfonatophenyl]benzenesulfonate
SMILESO=C1C=Cc2ccccc2/C1=N/Nc1ccc(-c2ccc(N/N=C3/C(=O)C=Cc4ccccc43)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+]
InChIInChI=1S/C32H22N4O8S2.2Na/c37-27-15-9-19-5-1-3-7-23(19)31(27)35-33-21-11-13-25(29(17-21)45(39,40)41)26-14-12-22(18-30(26)46(42,43)44)34-36-32-24-8-4-2-6-20(24)10-16-28(32)38;;/h1-18,33-34H,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/b35-31-,36-32+;;
InChIKeyUJLOYSKARDZKTC-SENFDEEKSA-L
XLogP-2.01
TPSA197.32 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.65
LogP ≤ 5-2.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of disodium;5-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[4-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfonatophenyl]benzenesulfonate?
The IUPAC name of disodium;5-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[4-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfonatophenyl]benzenesulfonate (CID 22833483) is disodium;5-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[4-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfonatophenyl]benzenesulfonate.
What is the SMILES notation for disodium;5-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[4-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfonatophenyl]benzenesulfonate?
The canonical SMILES for disodium;5-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[4-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfonatophenyl]benzenesulfonate is O=C1C=Cc2ccccc2/C1=N/Nc1ccc(-c2ccc(N/N=C3/C(=O)C=Cc4ccccc43)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1.[Na+].[Na+].
What is the InChIKey of disodium;5-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[4-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfonatophenyl]benzenesulfonate?
The InChIKey is UJLOYSKARDZKTC-SENFDEEKSA-L. The full InChI is InChI=1S/C32H22N4O8S2.2Na/c37-27-15-9-19-5-1-3-7-23(19)31(27)35-33-21-11-13-25(29(17-21)45(39,40)41)26-14-12-22(18-30(26)46(42,43)44)34-36-32-24-8-4-2-6-20(24)10-16-28(32)38;;/h1-18,33-34H,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/b35-31-,36-32+;;.
What are the key properties of disodium;5-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[4-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfonatophenyl]benzenesulfonate?
disodium;5-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[4-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfonatophenyl]benzenesulfonate has a molecular weight of 698.65 g/mol, XLogP of -2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;5-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[4-[(2Z)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfonatophenyl]benzenesulfonate is sourced from PubChem (CID 22833483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).