methyl 2-[(Z)-[[2-(2-fluorophenyl)sulfanylacetyl]hydrazinylidene]methyl]benzoate

C17H15FN2O3S — CID 9293970

IUPACmethyl 2-[(Z)-[[2-(2-fluorophenyl)sulfanylacetyl]hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccccc1/C=N\NC(=O)CSc1ccccc1F
InChIInChI=1S/C17H15FN2O3S/c1-23-17(22)13-7-3-2-6-12(13)10-19-20-16(21)11-24-15-9-5-4-8-14(15)18/h2-10H,11H2,1H3,(H,20,21)/b19-10-
InChIKeyIHIGOWPSNCYPBW-GRSHGNNSSA-N
MW346.38 g/mol
LogP2.85
Rot. Bonds6

About methyl 2-[(Z)-[[2-(2-fluorophenyl)sulfanylacetyl]hydrazinylidene]methyl]benzoate

methyl 2-[(Z)-[[2-(2-fluorophenyl)sulfanylacetyl]hydrazinylidene]methyl]benzoate (PubChem CID 9293970) has the molecular formula C17H15FN2O3S and a molecular weight of 346.38 g/mol. Its IUPAC name is methyl 2-[(Z)-[[2-(2-fluorophenyl)sulfanylacetyl]hydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(Z)-[[2-(2-fluorophenyl)sulfanylacetyl]hydrazinylidene]methyl]benzoate
PubChem CID9293970
Molecular FormulaC17H15FN2O3S
Molecular Weight346.38 g/mol
Exact Mass346.08
IUPAC Namemethyl 2-[(Z)-[[2-(2-fluorophenyl)sulfanylacetyl]hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccccc1/C=N\NC(=O)CSc1ccccc1F
InChIInChI=1S/C17H15FN2O3S/c1-23-17(22)13-7-3-2-6-12(13)10-19-20-16(21)11-24-15-9-5-4-8-14(15)18/h2-10H,11H2,1H3,(H,20,21)/b19-10-
InChIKeyIHIGOWPSNCYPBW-GRSHGNNSSA-N
XLogP2.85
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 2-[(Z)-[[2-(2-fluorophenyl)sulfanylacetyl]hydrazinylidene]methyl]benzoate 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

methyl 2-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 9217614
methyl 2-[(Z)-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 9217540
methyl 2-[(Z)-(ethylcarbamothioylhydrazinylidene)methyl]benzoate
CID 9215995
2-[(E)-[[2-(4-methylphenyl)sulfanylacetyl]hydrazinylidene]methyl]benzoic acid
CID 19208852
2-(2-fluorophenyl)sulfanyl-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135582572
methyl 2-[(E)-(phenoxycarbonylhydrazinylidene)methyl]benzoate
CID 134847140
methyl 2-[(Z)-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 9218105
N-[(E)-(2-fluorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 5340045
2-[(E)-[[2-(2-fluorophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 6911092
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)sulfanylacetamide
CID 135716269
N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 5404184
[2-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 117060553

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(Z)-[[2-(2-fluorophenyl)sulfanylacetyl]hydrazinylidene]methyl]benzoate?
The IUPAC name of methyl 2-[(Z)-[[2-(2-fluorophenyl)sulfanylacetyl]hydrazinylidene]methyl]benzoate (CID 9293970) is methyl 2-[(Z)-[[2-(2-fluorophenyl)sulfanylacetyl]hydrazinylidene]methyl]benzoate.
What is the SMILES notation for methyl 2-[(Z)-[[2-(2-fluorophenyl)sulfanylacetyl]hydrazinylidene]methyl]benzoate?
The canonical SMILES for methyl 2-[(Z)-[[2-(2-fluorophenyl)sulfanylacetyl]hydrazinylidene]methyl]benzoate is COC(=O)c1ccccc1/C=N\NC(=O)CSc1ccccc1F.
What is the InChIKey of methyl 2-[(Z)-[[2-(2-fluorophenyl)sulfanylacetyl]hydrazinylidene]methyl]benzoate?
The InChIKey is IHIGOWPSNCYPBW-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H15FN2O3S/c1-23-17(22)13-7-3-2-6-12(13)10-19-20-16(21)11-24-15-9-5-4-8-14(15)18/h2-10H,11H2,1H3,(H,20,21)/b19-10-.
What are the key properties of methyl 2-[(Z)-[[2-(2-fluorophenyl)sulfanylacetyl]hydrazinylidene]methyl]benzoate?
methyl 2-[(Z)-[[2-(2-fluorophenyl)sulfanylacetyl]hydrazinylidene]methyl]benzoate has a molecular weight of 346.38 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(Z)-[[2-(2-fluorophenyl)sulfanylacetyl]hydrazinylidene]methyl]benzoate is sourced from PubChem (CID 9293970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).