ethyl (2Z)-2-[(5-chloro-2-methylphenyl)hydrazinylidene]-2-(4-methylphenyl)sulfonylacetate

C18H19ClN2O4S — CID 21176404

IUPACethyl (2Z)-2-[(5-chloro-2-methylphenyl)hydrazinylidene]-2-(4-methylphenyl)sulfonylacetate
SMILESCCOC(=O)/C(=N/Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H19ClN2O4S/c1-4-25-18(22)17(21-20-16-11-14(19)8-7-13(16)3)26(23,24)15-9-5-12(2)6-10-15/h5-11,20H,4H2,1-3H3/b21-17-
InChIKeyFVQKGFYIOLCHIS-FXBPSFAMSA-N
MW394.88 g/mol
LogP3.72
Rot. Bonds4

About ethyl (2Z)-2-[(5-chloro-2-methylphenyl)hydrazinylidene]-2-(4-methylphenyl)sulfonylacetate

ethyl (2Z)-2-[(5-chloro-2-methylphenyl)hydrazinylidene]-2-(4-methylphenyl)sulfonylacetate (PubChem CID 21176404) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is ethyl (2Z)-2-[(5-chloro-2-methylphenyl)hydrazinylidene]-2-(4-methylphenyl)sulfonylacetate.

Molecular Properties

Compound Nameethyl (2Z)-2-[(5-chloro-2-methylphenyl)hydrazinylidene]-2-(4-methylphenyl)sulfonylacetate
PubChem CID21176404
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC Nameethyl (2Z)-2-[(5-chloro-2-methylphenyl)hydrazinylidene]-2-(4-methylphenyl)sulfonylacetate
SMILESCCOC(=O)/C(=N/Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H19ClN2O4S/c1-4-25-18(22)17(21-20-16-11-14(19)8-7-13(16)3)26(23,24)15-9-5-12(2)6-10-15/h5-11,20H,4H2,1-3H3/b21-17-
InChIKeyFVQKGFYIOLCHIS-FXBPSFAMSA-N
XLogP3.72
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl (2Z)-2-[(5-chloro-2-methylphenyl)hydrazinylidene]-2-(4-methylphenyl)sulfonylacetate 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

ethyl (2Z)-2-(4-methylphenyl)sulfonyl-2-(phenylhydrazinylidene)acetate
CID 5406299
ethyl 2-(benzenesulfonyl)-2-(phenylhydrazinylidene)acetate
CID 794239
2-[(5-chloro-2-methylphenyl)hydrazinylidene]propanoic acid
CID 129244111
(2Z)-2-(4-chlorophenyl)sulfonyl-2-[(4-methylphenyl)hydrazinylidene]acetohydrazide
CID 6034461
ethyl 2-chloro-2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]acetate
CID 131632768
ethyl 2-[(5-chloro-2-methylanilino)methyl]prop-2-enoate
CID 103230537
ethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]butanoate
CID 12858861
ethyl (2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]-2-iodoacetate
CID 24873970
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2596364
(2Z)-2-(benzenesulfonyl)-2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]acetohydrazide
CID 21176413
ethyl 5-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 139957908
ethyl (2Z)-2-[(2-fluoro-5-methylphenyl)hydrazinylidene]propanoate
CID 87824390

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[(5-chloro-2-methylphenyl)hydrazinylidene]-2-(4-methylphenyl)sulfonylacetate?
The IUPAC name of ethyl (2Z)-2-[(5-chloro-2-methylphenyl)hydrazinylidene]-2-(4-methylphenyl)sulfonylacetate (CID 21176404) is ethyl (2Z)-2-[(5-chloro-2-methylphenyl)hydrazinylidene]-2-(4-methylphenyl)sulfonylacetate.
What is the SMILES notation for ethyl (2Z)-2-[(5-chloro-2-methylphenyl)hydrazinylidene]-2-(4-methylphenyl)sulfonylacetate?
The canonical SMILES for ethyl (2Z)-2-[(5-chloro-2-methylphenyl)hydrazinylidene]-2-(4-methylphenyl)sulfonylacetate is CCOC(=O)/C(=N/Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl (2Z)-2-[(5-chloro-2-methylphenyl)hydrazinylidene]-2-(4-methylphenyl)sulfonylacetate?
The InChIKey is FVQKGFYIOLCHIS-FXBPSFAMSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c1-4-25-18(22)17(21-20-16-11-14(19)8-7-13(16)3)26(23,24)15-9-5-12(2)6-10-15/h5-11,20H,4H2,1-3H3/b21-17-.
What are the key properties of ethyl (2Z)-2-[(5-chloro-2-methylphenyl)hydrazinylidene]-2-(4-methylphenyl)sulfonylacetate?
ethyl (2Z)-2-[(5-chloro-2-methylphenyl)hydrazinylidene]-2-(4-methylphenyl)sulfonylacetate has a molecular weight of 394.88 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[(5-chloro-2-methylphenyl)hydrazinylidene]-2-(4-methylphenyl)sulfonylacetate is sourced from PubChem (CID 21176404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).