ethyl (1Z)-N-(4-methylphenyl)sulfonylethanehydrazonate

C11H16N2O3S — CID 139228774

IUPACethyl (1Z)-N-(4-methylphenyl)sulfonylethanehydrazonate
SMILESCCO/C(C)=N\NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H16N2O3S/c1-4-16-10(3)12-13-17(14,15)11-7-5-9(2)6-8-11/h5-8,13H,4H2,1-3H3/b12-10-
InChIKeyYCGZHSQNPJHOBT-BENRWUELSA-N
MW256.33 g/mol
LogP1.64
Rot. Bonds4

About ethyl (1Z)-N-(4-methylphenyl)sulfonylethanehydrazonate

ethyl (1Z)-N-(4-methylphenyl)sulfonylethanehydrazonate (PubChem CID 139228774) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is ethyl (1Z)-N-(4-methylphenyl)sulfonylethanehydrazonate.

Molecular Properties

Compound Nameethyl (1Z)-N-(4-methylphenyl)sulfonylethanehydrazonate
PubChem CID139228774
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Nameethyl (1Z)-N-(4-methylphenyl)sulfonylethanehydrazonate
SMILESCCO/C(C)=N\NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H16N2O3S/c1-4-16-10(3)12-13-17(14,15)11-7-5-9(2)6-8-11/h5-8,13H,4H2,1-3H3/b12-10-
InChIKeyYCGZHSQNPJHOBT-BENRWUELSA-N
XLogP1.64
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of ethyl (1Z)-N-(4-methylphenyl)sulfonylethanehydrazonate?
The IUPAC name of ethyl (1Z)-N-(4-methylphenyl)sulfonylethanehydrazonate (CID 139228774) is ethyl (1Z)-N-(4-methylphenyl)sulfonylethanehydrazonate.
What is the SMILES notation for ethyl (1Z)-N-(4-methylphenyl)sulfonylethanehydrazonate?
The canonical SMILES for ethyl (1Z)-N-(4-methylphenyl)sulfonylethanehydrazonate is CCO/C(C)=N\NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl (1Z)-N-(4-methylphenyl)sulfonylethanehydrazonate?
The InChIKey is YCGZHSQNPJHOBT-BENRWUELSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-4-16-10(3)12-13-17(14,15)11-7-5-9(2)6-8-11/h5-8,13H,4H2,1-3H3/b12-10-.
What are the key properties of ethyl (1Z)-N-(4-methylphenyl)sulfonylethanehydrazonate?
ethyl (1Z)-N-(4-methylphenyl)sulfonylethanehydrazonate has a molecular weight of 256.33 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1Z)-N-(4-methylphenyl)sulfonylethanehydrazonate is sourced from PubChem (CID 139228774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).