5-[[[2-(2,3-dimethylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonic acid

C15H16N2O6S — CID 4220503

IUPAC5-[[[2-(2,3-dimethylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonic acid
SMILESCc1cccc(OCC(=O)NN=Cc2ccc(S(=O)(=O)O)o2)c1C
InChIInChI=1S/C15H16N2O6S/c1-10-4-3-5-13(11(10)2)22-9-14(18)17-16-8-12-6-7-15(23-12)24(19,20)21/h3-8H,9H2,1-2H3,(H,17,18)(H,19,20,21)
InChIKeyHYTJIEDZSOZANN-UHFFFAOYSA-N
MW352.37 g/mol
LogP1.67
Rot. Bonds6

About 5-[[[2-(2,3-dimethylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonic acid

5-[[[2-(2,3-dimethylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonic acid (PubChem CID 4220503) has the molecular formula C15H16N2O6S and a molecular weight of 352.37 g/mol. Its IUPAC name is 5-[[[2-(2,3-dimethylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonic acid.

Molecular Properties

Compound Name5-[[[2-(2,3-dimethylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonic acid
PubChem CID4220503
Molecular FormulaC15H16N2O6S
Molecular Weight352.37 g/mol
Exact Mass352.07
IUPAC Name5-[[[2-(2,3-dimethylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonic acid
SMILESCc1cccc(OCC(=O)NN=Cc2ccc(S(=O)(=O)O)o2)c1C
InChIInChI=1S/C15H16N2O6S/c1-10-4-3-5-13(11(10)2)22-9-14(18)17-16-8-12-6-7-15(23-12)24(19,20)21/h3-8H,9H2,1-2H3,(H,17,18)(H,19,20,21)
InChIKeyHYTJIEDZSOZANN-UHFFFAOYSA-N
XLogP1.67
TPSA118.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 51.67
H-Bond Donors ≤ 52
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

N-[(5-methylfuran-2-yl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 758393
N-[(3-chlorophenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide
CID 957902
N-[(E)-(4-bromophenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide
CID 19182261
2-(2,3-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide
CID 135590182
5-[[[2-(2,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate
CID 5166980
N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-(2,3-dimethylphenoxy)acetamide
CID 5342564
5-[[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate
CID 74259890
2-(2,3-dimethylphenoxy)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
CID 5426214
2-[2-[[[2-(2,3-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 1104419
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(2,3-dimethylphenoxy)acetamide
CID 135884295
2-(2,3-dimethylphenoxy)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 957917
sodium 5-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate
CID 23670347

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(2,3-dimethylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonic acid?
The IUPAC name of 5-[[[2-(2,3-dimethylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonic acid (CID 4220503) is 5-[[[2-(2,3-dimethylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonic acid.
What is the SMILES notation for 5-[[[2-(2,3-dimethylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonic acid?
The canonical SMILES for 5-[[[2-(2,3-dimethylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonic acid is Cc1cccc(OCC(=O)NN=Cc2ccc(S(=O)(=O)O)o2)c1C.
What is the InChIKey of 5-[[[2-(2,3-dimethylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonic acid?
The InChIKey is HYTJIEDZSOZANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O6S/c1-10-4-3-5-13(11(10)2)22-9-14(18)17-16-8-12-6-7-15(23-12)24(19,20)21/h3-8H,9H2,1-2H3,(H,17,18)(H,19,20,21).
What are the key properties of 5-[[[2-(2,3-dimethylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonic acid?
5-[[[2-(2,3-dimethylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonic acid has a molecular weight of 352.37 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(2,3-dimethylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonic acid is sourced from PubChem (CID 4220503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).