sodium 5-[(benzoylhydrazinylidene)methyl]furan-2-sulfonate

C12H9N2NaO5S — CID 171151438

IUPACsodium 5-[(benzoylhydrazinylidene)methyl]furan-2-sulfonate
SMILESO=C(NN=Cc1ccc(S(=O)(=O)[O-])o1)c1ccccc1.[Na+]
InChIInChI=1S/C12H10N2O5S.Na/c15-12(9-4-2-1-3-5-9)14-13-8-10-6-7-11(19-10)20(16,17)18;/h1-8H,(H,14,15)(H,16,17,18);/q;+1/p-1
InChIKeyWYFQUXDOAZBIEO-UHFFFAOYSA-M
MW316.27 g/mol
LogP-2.05
Rot. Bonds4

About sodium 5-[(benzoylhydrazinylidene)methyl]furan-2-sulfonate

sodium 5-[(benzoylhydrazinylidene)methyl]furan-2-sulfonate (PubChem CID 171151438) has the molecular formula C12H9N2NaO5S and a molecular weight of 316.27 g/mol. Its IUPAC name is sodium 5-[(benzoylhydrazinylidene)methyl]furan-2-sulfonate.

Molecular Properties

Compound Namesodium 5-[(benzoylhydrazinylidene)methyl]furan-2-sulfonate
PubChem CID171151438
Molecular FormulaC12H9N2NaO5S
Molecular Weight316.27 g/mol
Exact Mass316.01
IUPAC Namesodium 5-[(benzoylhydrazinylidene)methyl]furan-2-sulfonate
SMILESO=C(NN=Cc1ccc(S(=O)(=O)[O-])o1)c1ccccc1.[Na+]
InChIInChI=1S/C12H10N2O5S.Na/c15-12(9-4-2-1-3-5-9)14-13-8-10-6-7-11(19-10)20(16,17)18;/h1-8H,(H,14,15)(H,16,17,18);/q;+1/p-1
InChIKeyWYFQUXDOAZBIEO-UHFFFAOYSA-M
XLogP-2.05
TPSA111.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 5-2.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

sodium 5-[[(4-fluorobenzoyl)hydrazinylidene]methyl]furan-2-sulfonate
CID 171151557
sodium 5-[(E)-[(4-nitrobenzoyl)hydrazinylidene]methyl]furan-2-sulfonate
CID 44784402
sodium 5-[[(2-phenylacetyl)hydrazinylidene]methyl]furan-2-sulfonate
CID 74084471
sodium 5-[(E)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]furan-2-sulfonate
CID 171669473
N-[(Z)-(5-bromofuran-2-yl)methylideneamino]benzamide
CID 5397633
N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 569827
5-[(9H-xanthene-9-carbonylhydrazinylidene)methyl]furan-2-sulfonate
CID 3155195
sodium 5-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]furan-2-sulfonate
CID 171151497
N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide
CID 94845215
N-(benzylideneamino)-4-[4-[(benzylideneamino)carbamoyl]phenyl]sulfonylbenzamide
CID 4301325
5-[(E)-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]hydrazinylidene]methyl]furan-2-sulfonate
CID 7256296
4-benzamido-N-[(E)-(5-bromofuran-2-yl)methylideneamino]benzamide
CID 171983837

Frequently Asked Questions

What is the IUPAC name of sodium 5-[(benzoylhydrazinylidene)methyl]furan-2-sulfonate?
The IUPAC name of sodium 5-[(benzoylhydrazinylidene)methyl]furan-2-sulfonate (CID 171151438) is sodium 5-[(benzoylhydrazinylidene)methyl]furan-2-sulfonate.
What is the SMILES notation for sodium 5-[(benzoylhydrazinylidene)methyl]furan-2-sulfonate?
The canonical SMILES for sodium 5-[(benzoylhydrazinylidene)methyl]furan-2-sulfonate is O=C(NN=Cc1ccc(S(=O)(=O)[O-])o1)c1ccccc1.[Na+].
What is the InChIKey of sodium 5-[(benzoylhydrazinylidene)methyl]furan-2-sulfonate?
The InChIKey is WYFQUXDOAZBIEO-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H10N2O5S.Na/c15-12(9-4-2-1-3-5-9)14-13-8-10-6-7-11(19-10)20(16,17)18;/h1-8H,(H,14,15)(H,16,17,18);/q;+1/p-1.
What are the key properties of sodium 5-[(benzoylhydrazinylidene)methyl]furan-2-sulfonate?
sodium 5-[(benzoylhydrazinylidene)methyl]furan-2-sulfonate has a molecular weight of 316.27 g/mol, XLogP of -2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-[(benzoylhydrazinylidene)methyl]furan-2-sulfonate is sourced from PubChem (CID 171151438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).