5-[[[2-(2,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate

C15H15N2O6S- — CID 5166980

IUPAC5-[[[2-(2,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate
SMILESCc1ccc(OCC(=O)NN=Cc2ccc(S(=O)(=O)[O-])o2)c(C)c1
InChIInChI=1S/C15H16N2O6S/c1-10-3-5-13(11(2)7-10)22-9-14(18)17-16-8-12-4-6-15(23-12)24(19,20)21/h3-8H,9H2,1-2H3,(H,17,18)(H,19,20,21)/p-1
InChIKeyVOPVZFTUVMKWDZ-UHFFFAOYSA-M
MW351.36 g/mol
LogP1.33
Rot. Bonds6

About 5-[[[2-(2,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate

5-[[[2-(2,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate (PubChem CID 5166980) has the molecular formula C15H15N2O6S- and a molecular weight of 351.36 g/mol. Its IUPAC name is 5-[[[2-(2,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate.

Molecular Properties

Compound Name5-[[[2-(2,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate
PubChem CID5166980
Molecular FormulaC15H15N2O6S-
Molecular Weight351.36 g/mol
Exact Mass351.07
IUPAC Name5-[[[2-(2,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate
SMILESCc1ccc(OCC(=O)NN=Cc2ccc(S(=O)(=O)[O-])o2)c(C)c1
InChIInChI=1S/C15H16N2O6S/c1-10-3-5-13(11(2)7-10)22-9-14(18)17-16-8-12-4-6-15(23-12)24(19,20)21/h3-8H,9H2,1-2H3,(H,17,18)(H,19,20,21)/p-1
InChIKeyVOPVZFTUVMKWDZ-UHFFFAOYSA-M
XLogP1.33
TPSA121.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
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'}

Analyze 5-[[[2-(2,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate with MolForge

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Related Compounds

5-[[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate
CID 74259890
5-[(E)-[[2-(4-methyl-2-nitrophenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate
CID 6886171
sodium 5-[[[2-(4-methyl-2-nitrophenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate
CID 171151871
sodium 5-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate
CID 23670347
5-[[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate
CID 4556494
2-(2,4-dimethylphenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 6020779
N-[(Z)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(2,4-dimethylphenoxy)acetamide
CID 50929945
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-(2,4-dimethylphenoxy)acetamide
CID 17018827
5-[[[2-(2,3-dimethylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonic acid
CID 4220503
2-(2,4-dimethylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide
CID 19189781
2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-4-methylphenyl)methylideneamino]acetamide
CID 780702
N-[(5-methylfuran-2-yl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 758393

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(2,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate?
The IUPAC name of 5-[[[2-(2,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate (CID 5166980) is 5-[[[2-(2,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate.
What is the SMILES notation for 5-[[[2-(2,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate?
The canonical SMILES for 5-[[[2-(2,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate is Cc1ccc(OCC(=O)NN=Cc2ccc(S(=O)(=O)[O-])o2)c(C)c1.
What is the InChIKey of 5-[[[2-(2,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate?
The InChIKey is VOPVZFTUVMKWDZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H16N2O6S/c1-10-3-5-13(11(2)7-10)22-9-14(18)17-16-8-12-4-6-15(23-12)24(19,20)21/h3-8H,9H2,1-2H3,(H,17,18)(H,19,20,21)/p-1.
What are the key properties of 5-[[[2-(2,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate?
5-[[[2-(2,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate has a molecular weight of 351.36 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(2,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate is sourced from PubChem (CID 5166980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).