5-[[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate

C14H12ClN2O6S- — CID 74259890

IUPAC5-[[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate
SMILESCc1cc(Cl)ccc1OCC(=O)NN=Cc1ccc(S(=O)(=O)[O-])o1
InChIInChI=1S/C14H13ClN2O6S/c1-9-6-10(15)2-4-12(9)22-8-13(18)17-16-7-11-3-5-14(23-11)24(19,20)21/h2-7H,8H2,1H3,(H,17,18)(H,19,20,21)/p-1
InChIKeyFVQRGCZACMCWTJ-UHFFFAOYSA-M
MW371.78 g/mol
LogP1.67
Rot. Bonds6

About 5-[[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate

5-[[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate (PubChem CID 74259890) has the molecular formula C14H12ClN2O6S- and a molecular weight of 371.78 g/mol. Its IUPAC name is 5-[[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate.

Molecular Properties

Compound Name5-[[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate
PubChem CID74259890
Molecular FormulaC14H12ClN2O6S-
Molecular Weight371.78 g/mol
Exact Mass371.01
IUPAC Name5-[[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate
SMILESCc1cc(Cl)ccc1OCC(=O)NN=Cc1ccc(S(=O)(=O)[O-])o1
InChIInChI=1S/C14H13ClN2O6S/c1-9-6-10(15)2-4-12(9)22-8-13(18)17-16-7-11-3-5-14(23-11)24(19,20)21/h2-7H,8H2,1H3,(H,17,18)(H,19,20,21)/p-1
InChIKeyFVQRGCZACMCWTJ-UHFFFAOYSA-M
XLogP1.67
TPSA121.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.78
LogP ≤ 51.67
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'}

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Related Compounds

5-[[[2-(2,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate
CID 5166980
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
2-(4-chloro-2-methylphenoxy)-N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 95180867
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-(4-chloro-2-methylphenoxy)-N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 95180869
2-(4-chloro-2-methylphenoxy)-N-[(4-methoxy-3-methylphenyl)methylideneamino]acetamide
CID 4980388
5-[[[2-(2,3-dimethylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonic acid
CID 4220503
N-[(Z)-(2-bromophenyl)methylideneamino]-2-(4-chloro-2-methylphenoxy)acetamide
CID 9317278
2-(4-bromo-2-methylphenoxy)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 3423084
2-(4-chloro-2-methylphenoxy)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 6165893

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate?
The IUPAC name of 5-[[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate (CID 74259890) is 5-[[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate.
What is the SMILES notation for 5-[[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate?
The canonical SMILES for 5-[[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate is Cc1cc(Cl)ccc1OCC(=O)NN=Cc1ccc(S(=O)(=O)[O-])o1.
What is the InChIKey of 5-[[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate?
The InChIKey is FVQRGCZACMCWTJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H13ClN2O6S/c1-9-6-10(15)2-4-12(9)22-8-13(18)17-16-7-11-3-5-14(23-11)24(19,20)21/h2-7H,8H2,1H3,(H,17,18)(H,19,20,21)/p-1.
What are the key properties of 5-[[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate?
5-[[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate has a molecular weight of 371.78 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate is sourced from PubChem (CID 74259890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).