disodium;5-[(2E)-2-[(2E)-2-hydroxyimino-1-phenylethylidene]hydrazinyl]-2-[(E)-2-[4-[(2E)-2-[(2E)-2-hydroxyimino-1-phenylethylidene]hydrazinyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate

C30H24N6Na2O8S2 — CID 135570683

IUPACdisodium;5-[(2E)-2-[(2E)-2-hydroxyimino-1-phenylethylidene]hydrazinyl]-2-[(E)-2-[4-[(2E)-2-[(2E)-2-hydroxyimino-1-phenylethylidene]hydrazinyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SMILESO=S(=O)([O-])c1cc(N/N=C(/C=N/O)c2ccccc2)ccc1/C=C/c1ccc(N/N=C(/C=N/O)c2ccccc2)cc1S(=O)(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C30H26N6O8S2.2Na/c37-31-19-27(21-7-3-1-4-8-21)35-33-25-15-13-23(29(17-25)45(39,40)41)11-12-24-14-16-26(18-30(24)46(42,43)44)34-36-28(20-32-38)22-9-5-2-6-10-22;;/h1-20,33-34,37-38H,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/b12-11+,31-19+,32-20+,35-27-,36-28-;;
InChIKeyAXGOIJDXBQDUEA-KJIHHKBTSA-L
MW706.67 g/mol
LogP-1.77
Rot. Bonds12

About disodium;5-[(2E)-2-[(2E)-2-hydroxyimino-1-phenylethylidene]hydrazinyl]-2-[(E)-2-[4-[(2E)-2-[(2E)-2-hydroxyimino-1-phenylethylidene]hydrazinyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate

disodium;5-[(2E)-2-[(2E)-2-hydroxyimino-1-phenylethylidene]hydrazinyl]-2-[(E)-2-[4-[(2E)-2-[(2E)-2-hydroxyimino-1-phenylethylidene]hydrazinyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate (PubChem CID 135570683) has the molecular formula C30H24N6Na2O8S2 and a molecular weight of 706.67 g/mol. Its IUPAC name is disodium;5-[(2E)-2-[(2E)-2-hydroxyimino-1-phenylethylidene]hydrazinyl]-2-[(E)-2-[4-[(2E)-2-[(2E)-2-hydroxyimino-1-phenylethylidene]hydrazinyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate.

Molecular Properties

Compound Namedisodium;5-[(2E)-2-[(2E)-2-hydroxyimino-1-phenylethylidene]hydrazinyl]-2-[(E)-2-[4-[(2E)-2-[(2E)-2-hydroxyimino-1-phenylethylidene]hydrazinyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate
PubChem CID135570683
Molecular FormulaC30H24N6Na2O8S2
Molecular Weight706.67 g/mol
Exact Mass706.09
IUPAC Namedisodium;5-[(2E)-2-[(2E)-2-hydroxyimino-1-phenylethylidene]hydrazinyl]-2-[(E)-2-[4-[(2E)-2-[(2E)-2-hydroxyimino-1-phenylethylidene]hydrazinyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SMILESO=S(=O)([O-])c1cc(N/N=C(/C=N/O)c2ccccc2)ccc1/C=C/c1ccc(N/N=C(/C=N/O)c2ccccc2)cc1S(=O)(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C30H26N6O8S2.2Na/c37-31-19-27(21-7-3-1-4-8-21)35-33-25-15-13-23(29(17-25)45(39,40)41)11-12-24-14-16-26(18-30(24)46(42,43)44)34-36-28(20-32-38)22-9-5-2-6-10-22;;/h1-20,33-34,37-38H,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/b12-11+,31-19+,32-20+,35-27-,36-28-;;
InChIKeyAXGOIJDXBQDUEA-KJIHHKBTSA-L
XLogP-1.77
TPSA228.36 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.67
LogP ≤ 5-1.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze disodium;5-[(2E)-2-[(2E)-2-hydroxyimino-1-phenylethylidene]hydrazinyl]-2-[(E)-2-[4-[(2E)-2-[(2E)-2-hydroxyimino-1-phenylethylidene]hydrazinyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate with MolForge

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Related Compounds

disodium;5-[(2Z)-2-[(2Z)-2-oxidoimino-1-phenylethylidene]hydrazinyl]-2-[(E)-2-[4-[(2Z)-2-[(2Z)-2-oxidoimino-1-phenylethylidene]hydrazinyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid
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disodium;5-(phenylcarbamoylamino)-2-[2-[4-(phenylcarbamoylamino)-2-sulfonatophenyl]ethenyl]benzenesulfonate
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5-[(2Z)-2-[(2Z)-2-hydroxyimino-1-phenylpropylidene]hydrazinyl]-2-[(E)-2-[4-[(2Z)-2-[(2E)-2-hydroxyimino-1-phenylpropylidene]hydrazinyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid
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5-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-[2-[4-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate
CID 6814431
disodium;5-hydroxy-2-[2-(4-hydroxy-2-sulfonatophenyl)ethenyl]benzenesulfonate
CID 139911100
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CID 140612062
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CID 139074433
disodium;5-[(4-hydroxyphenyl)diazenyl]-2-[2-[4-[(4-hydroxyphenyl)diazenyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate
CID 517203
5-[(4-aminobenzoyl)amino]-2-[2-[4-[[4-[(4-aminobenzoyl)amino]benzoyl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
CID 5163953
hexasodium;5-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]-2-[(E)-2-[2-sulfonato-4-[[3-sulfonato-4-[(E)-2-[2-sulfonato-4-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]ethenyl]phenyl]diazenyl]phenyl]ethenyl]benzenesulfonate
CID 100952539
disodium;5-acetamido-2-[2-[4-(propan-2-ylcarbamoylamino)-2-sulfonatophenyl]ethenyl]benzenesulfonate
CID 162017161
tetrasodium;2-[(E)-2-(4-isothiocyanato-2-sulfonatophenyl)ethenyl]-5-[2-[[4-[(E)-2-(4-isothiocyanato-2-sulfonatophenyl)ethenyl]-3-sulfonatophenyl]carbamothioylamino]ethylcarbamothioylamino]benzenesulfonate
CID 25031440

Frequently Asked Questions

What is the IUPAC name of disodium;5-[(2E)-2-[(2E)-2-hydroxyimino-1-phenylethylidene]hydrazinyl]-2-[(E)-2-[4-[(2E)-2-[(2E)-2-hydroxyimino-1-phenylethylidene]hydrazinyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate?
The IUPAC name of disodium;5-[(2E)-2-[(2E)-2-hydroxyimino-1-phenylethylidene]hydrazinyl]-2-[(E)-2-[4-[(2E)-2-[(2E)-2-hydroxyimino-1-phenylethylidene]hydrazinyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate (CID 135570683) is disodium;5-[(2E)-2-[(2E)-2-hydroxyimino-1-phenylethylidene]hydrazinyl]-2-[(E)-2-[4-[(2E)-2-[(2E)-2-hydroxyimino-1-phenylethylidene]hydrazinyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate.
What is the SMILES notation for disodium;5-[(2E)-2-[(2E)-2-hydroxyimino-1-phenylethylidene]hydrazinyl]-2-[(E)-2-[4-[(2E)-2-[(2E)-2-hydroxyimino-1-phenylethylidene]hydrazinyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate?
The canonical SMILES for disodium;5-[(2E)-2-[(2E)-2-hydroxyimino-1-phenylethylidene]hydrazinyl]-2-[(E)-2-[4-[(2E)-2-[(2E)-2-hydroxyimino-1-phenylethylidene]hydrazinyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate is O=S(=O)([O-])c1cc(N/N=C(/C=N/O)c2ccccc2)ccc1/C=C/c1ccc(N/N=C(/C=N/O)c2ccccc2)cc1S(=O)(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;5-[(2E)-2-[(2E)-2-hydroxyimino-1-phenylethylidene]hydrazinyl]-2-[(E)-2-[4-[(2E)-2-[(2E)-2-hydroxyimino-1-phenylethylidene]hydrazinyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate?
The InChIKey is AXGOIJDXBQDUEA-KJIHHKBTSA-L. The full InChI is InChI=1S/C30H26N6O8S2.2Na/c37-31-19-27(21-7-3-1-4-8-21)35-33-25-15-13-23(29(17-25)45(39,40)41)11-12-24-14-16-26(18-30(24)46(42,43)44)34-36-28(20-32-38)22-9-5-2-6-10-22;;/h1-20,33-34,37-38H,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/b12-11+,31-19+,32-20+,35-27-,36-28-;;.
What are the key properties of disodium;5-[(2E)-2-[(2E)-2-hydroxyimino-1-phenylethylidene]hydrazinyl]-2-[(E)-2-[4-[(2E)-2-[(2E)-2-hydroxyimino-1-phenylethylidene]hydrazinyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate?
disodium;5-[(2E)-2-[(2E)-2-hydroxyimino-1-phenylethylidene]hydrazinyl]-2-[(E)-2-[4-[(2E)-2-[(2E)-2-hydroxyimino-1-phenylethylidene]hydrazinyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate has a molecular weight of 706.67 g/mol, XLogP of -1.77, 12 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;5-[(2E)-2-[(2E)-2-hydroxyimino-1-phenylethylidene]hydrazinyl]-2-[(E)-2-[4-[(2E)-2-[(2E)-2-hydroxyimino-1-phenylethylidene]hydrazinyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate is sourced from PubChem (CID 135570683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).