ethyl (2Z)-2-(4-methylphenyl)sulfonyl-2-(phenylhydrazinylidene)acetate

C17H18N2O4S — CID 5406299

IUPACethyl (2Z)-2-(4-methylphenyl)sulfonyl-2-(phenylhydrazinylidene)acetate
SMILESCCOC(=O)/C(=N/Nc1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H18N2O4S/c1-3-23-17(20)16(19-18-14-7-5-4-6-8-14)24(21,22)15-11-9-13(2)10-12-15/h4-12,18H,3H2,1-2H3/b19-16-
InChIKeySIQRAJLTVGQMSB-MNDPQUGUSA-N
MW346.41 g/mol
LogP2.76
Rot. Bonds4

About ethyl (2Z)-2-(4-methylphenyl)sulfonyl-2-(phenylhydrazinylidene)acetate

ethyl (2Z)-2-(4-methylphenyl)sulfonyl-2-(phenylhydrazinylidene)acetate (PubChem CID 5406299) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is ethyl (2Z)-2-(4-methylphenyl)sulfonyl-2-(phenylhydrazinylidene)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-(4-methylphenyl)sulfonyl-2-(phenylhydrazinylidene)acetate
PubChem CID5406299
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Nameethyl (2Z)-2-(4-methylphenyl)sulfonyl-2-(phenylhydrazinylidene)acetate
SMILESCCOC(=O)/C(=N/Nc1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H18N2O4S/c1-3-23-17(20)16(19-18-14-7-5-4-6-8-14)24(21,22)15-11-9-13(2)10-12-15/h4-12,18H,3H2,1-2H3/b19-16-
InChIKeySIQRAJLTVGQMSB-MNDPQUGUSA-N
XLogP2.76
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.76
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'}

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Related Compounds

ethyl 2-(benzenesulfonyl)-2-(phenylhydrazinylidene)acetate
CID 794239
(1E)-1-(benzenesulfonyl)-3-chloro-1-[(4-methylphenyl)hydrazinylidene]propan-2-one
CID 15047431
ethyl (2Z)-2-[(5-chloro-2-methylphenyl)hydrazinylidene]-2-(4-methylphenyl)sulfonylacetate
CID 21176404
ethyl (2E)-2-(4-methylphenyl)-2-(phenylhydrazinylidene)acetate
CID 159563587
(1Z)-1-(benzenesulfonyl)-1-(phenylhydrazinylidene)propan-2-one
CID 5410527
[(N'-anilinocarbamimidoyl)amino] 4-methylbenzenesulfonate
CID 173143427
N-[(E)-[(1Z)-1-(benzenesulfonyl)-1-[(4-methylphenyl)hydrazinylidene]propan-2-ylidene]amino]benzamide
CID 46187228
ethyl (2E)-3-phenyl-2-(phenylhydrazinylidene)propanoate
CID 11616153
ethyl 2,3-bis[(4-methylphenyl)hydrazinylidene]propanoate
CID 71428518
4-[(2Z)-2-[1-(benzenesulfonyl)-2-hydrazinyl-2-oxoethylidene]hydrazinyl]benzenesulfonamide
CID 21176411
diethyl oxalate;N-phenylaniline
CID 174415380
(1E)-1-[(2-methoxyphenyl)hydrazinylidene]-1,3-bis-(4-methylphenyl)sulfonylpropan-2-one
CID 5453114

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(4-methylphenyl)sulfonyl-2-(phenylhydrazinylidene)acetate?
The IUPAC name of ethyl (2Z)-2-(4-methylphenyl)sulfonyl-2-(phenylhydrazinylidene)acetate (CID 5406299) is ethyl (2Z)-2-(4-methylphenyl)sulfonyl-2-(phenylhydrazinylidene)acetate.
What is the SMILES notation for ethyl (2Z)-2-(4-methylphenyl)sulfonyl-2-(phenylhydrazinylidene)acetate?
The canonical SMILES for ethyl (2Z)-2-(4-methylphenyl)sulfonyl-2-(phenylhydrazinylidene)acetate is CCOC(=O)/C(=N/Nc1ccccc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl (2Z)-2-(4-methylphenyl)sulfonyl-2-(phenylhydrazinylidene)acetate?
The InChIKey is SIQRAJLTVGQMSB-MNDPQUGUSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-3-23-17(20)16(19-18-14-7-5-4-6-8-14)24(21,22)15-11-9-13(2)10-12-15/h4-12,18H,3H2,1-2H3/b19-16-.
What are the key properties of ethyl (2Z)-2-(4-methylphenyl)sulfonyl-2-(phenylhydrazinylidene)acetate?
ethyl (2Z)-2-(4-methylphenyl)sulfonyl-2-(phenylhydrazinylidene)acetate has a molecular weight of 346.41 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(4-methylphenyl)sulfonyl-2-(phenylhydrazinylidene)acetate is sourced from PubChem (CID 5406299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).