sodium 5-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]furan-2-sulfonate

C17H14N3NaO5S — CID 171151497

IUPACsodium 5-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]furan-2-sulfonate
SMILESO=C(CNc1ccc2ccccc2c1)NN=Cc1ccc(S(=O)(=O)[O-])o1.[Na+]
InChIInChI=1S/C17H15N3O5S.Na/c21-16(20-19-10-15-7-8-17(25-15)26(22,23)24)11-18-14-6-5-12-3-1-2-4-13(12)9-14;/h1-10,18H,11H2,(H,20,21)(H,22,23,24);/q;+1/p-1
InChIKeySFOVATXHUAQAPS-UHFFFAOYSA-M
MW395.37 g/mol
LogP-1.10
Rot. Bonds6

About sodium 5-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]furan-2-sulfonate

sodium 5-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]furan-2-sulfonate (PubChem CID 171151497) has the molecular formula C17H14N3NaO5S and a molecular weight of 395.37 g/mol. Its IUPAC name is sodium 5-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]furan-2-sulfonate.

Molecular Properties

Compound Namesodium 5-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]furan-2-sulfonate
PubChem CID171151497
Molecular FormulaC17H14N3NaO5S
Molecular Weight395.37 g/mol
Exact Mass395.06
IUPAC Namesodium 5-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]furan-2-sulfonate
SMILESO=C(CNc1ccc2ccccc2c1)NN=Cc1ccc(S(=O)(=O)[O-])o1.[Na+]
InChIInChI=1S/C17H15N3O5S.Na/c21-16(20-19-10-15-7-8-17(25-15)26(22,23)24)11-18-14-6-5-12-3-1-2-4-13(12)9-14;/h1-10,18H,11H2,(H,20,21)(H,22,23,24);/q;+1/p-1
InChIKeySFOVATXHUAQAPS-UHFFFAOYSA-M
XLogP-1.10
TPSA123.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[[(2-phenylacetyl)hydrazinylidene]methyl]furan-2-sulfonate
CID 74084471
N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 6886154
4-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]benzoate
CID 4623297
sodium 5-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate
CID 23670347
sodium 5-[(benzoylhydrazinylidene)methyl]furan-2-sulfonate
CID 171151438
5-[[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate
CID 4556494
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 1268496
N-[(3,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 687876
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 135473296
N-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 6897391
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 1271925
N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 71066400

Frequently Asked Questions

What is the IUPAC name of sodium 5-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]furan-2-sulfonate?
The IUPAC name of sodium 5-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]furan-2-sulfonate (CID 171151497) is sodium 5-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]furan-2-sulfonate.
What is the SMILES notation for sodium 5-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]furan-2-sulfonate?
The canonical SMILES for sodium 5-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]furan-2-sulfonate is O=C(CNc1ccc2ccccc2c1)NN=Cc1ccc(S(=O)(=O)[O-])o1.[Na+].
What is the InChIKey of sodium 5-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]furan-2-sulfonate?
The InChIKey is SFOVATXHUAQAPS-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H15N3O5S.Na/c21-16(20-19-10-15-7-8-17(25-15)26(22,23)24)11-18-14-6-5-12-3-1-2-4-13(12)9-14;/h1-10,18H,11H2,(H,20,21)(H,22,23,24);/q;+1/p-1.
What are the key properties of sodium 5-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]furan-2-sulfonate?
sodium 5-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]furan-2-sulfonate has a molecular weight of 395.37 g/mol, XLogP of -1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-[[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]furan-2-sulfonate is sourced from PubChem (CID 171151497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).