sodium 5-[[(2-phenylacetyl)hydrazinylidene]methyl]furan-2-sulfonate

C13H11N2NaO5S — CID 74084471

IUPACsodium 5-[[(2-phenylacetyl)hydrazinylidene]methyl]furan-2-sulfonate
SMILESO=C(Cc1ccccc1)NN=Cc1ccc(S(=O)(=O)[O-])o1.[Na+]
InChIInChI=1S/C13H12N2O5S.Na/c16-12(8-10-4-2-1-3-5-10)15-14-9-11-6-7-13(20-11)21(17,18)19;/h1-7,9H,8H2,(H,15,16)(H,17,18,19);/q;+1/p-1
InChIKeyGXLFBAHEDQVPRB-UHFFFAOYSA-M
MW330.30 g/mol
LogP-2.12
Rot. Bonds5

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

sodium 5-[[(2-phenylacetyl)hydrazinylidene]methyl]furan-2-sulfonate (PubChem CID 74084471) has the molecular formula C13H11N2NaO5S and a molecular weight of 330.30 g/mol. Its IUPAC name is sodium 5-[[(2-phenylacetyl)hydrazinylidene]methyl]furan-2-sulfonate.

Molecular Properties

Compound Namesodium 5-[[(2-phenylacetyl)hydrazinylidene]methyl]furan-2-sulfonate
PubChem CID74084471
Molecular FormulaC13H11N2NaO5S
Molecular Weight330.30 g/mol
Exact Mass330.03
IUPAC Namesodium 5-[[(2-phenylacetyl)hydrazinylidene]methyl]furan-2-sulfonate
SMILESO=C(Cc1ccccc1)NN=Cc1ccc(S(=O)(=O)[O-])o1.[Na+]
InChIInChI=1S/C13H12N2O5S.Na/c16-12(8-10-4-2-1-3-5-10)15-14-9-11-6-7-13(20-11)21(17,18)19;/h1-7,9H,8H2,(H,15,16)(H,17,18,19);/q;+1/p-1
InChIKeyGXLFBAHEDQVPRB-UHFFFAOYSA-M
XLogP-2.12
TPSA111.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 5-2.12
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'}

Analyze sodium 5-[[(2-phenylacetyl)hydrazinylidene]methyl]furan-2-sulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium 5-[(benzoylhydrazinylidene)methyl]furan-2-sulfonate
CID 171151438
sodium 5-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]furan-2-sulfonate
CID 171151497
N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
CID 947493
sodium 5-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate
CID 23670347
2-phenyl-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide
CID 126006396
sodium 5-[[(4-fluorobenzoyl)hydrazinylidene]methyl]furan-2-sulfonate
CID 171151557
5-[[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate
CID 4556494
5-[(9H-xanthene-9-carbonylhydrazinylidene)methyl]furan-2-sulfonate
CID 3155195
N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-phenylacetamide
CID 5332613
5-[[[2-(2,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate
CID 5166980
sodium 5-[(E)-[(4-nitrobenzoyl)hydrazinylidene]methyl]furan-2-sulfonate
CID 44784402
N-[(Z)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
CID 5436996

Frequently Asked Questions

What is the IUPAC name of sodium 5-[[(2-phenylacetyl)hydrazinylidene]methyl]furan-2-sulfonate?
The IUPAC name of sodium 5-[[(2-phenylacetyl)hydrazinylidene]methyl]furan-2-sulfonate (CID 74084471) is sodium 5-[[(2-phenylacetyl)hydrazinylidene]methyl]furan-2-sulfonate.
What is the SMILES notation for sodium 5-[[(2-phenylacetyl)hydrazinylidene]methyl]furan-2-sulfonate?
The canonical SMILES for sodium 5-[[(2-phenylacetyl)hydrazinylidene]methyl]furan-2-sulfonate is O=C(Cc1ccccc1)NN=Cc1ccc(S(=O)(=O)[O-])o1.[Na+].
What is the InChIKey of sodium 5-[[(2-phenylacetyl)hydrazinylidene]methyl]furan-2-sulfonate?
The InChIKey is GXLFBAHEDQVPRB-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H12N2O5S.Na/c16-12(8-10-4-2-1-3-5-10)15-14-9-11-6-7-13(20-11)21(17,18)19;/h1-7,9H,8H2,(H,15,16)(H,17,18,19);/q;+1/p-1.
What are the key properties of sodium 5-[[(2-phenylacetyl)hydrazinylidene]methyl]furan-2-sulfonate?
sodium 5-[[(2-phenylacetyl)hydrazinylidene]methyl]furan-2-sulfonate has a molecular weight of 330.30 g/mol, XLogP of -2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-[[(2-phenylacetyl)hydrazinylidene]methyl]furan-2-sulfonate is sourced from PubChem (CID 74084471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).