dimethyl 4-[1-[2-(4-methylphenyl)sulfonylhydrazinyl]ethenyl]cyclohex-4-ene-1,2-dicarboxylate

C19H24N2O6S — CID 57047857

IUPACdimethyl 4-[1-[2-(4-methylphenyl)sulfonylhydrazinyl]ethenyl]cyclohex-4-ene-1,2-dicarboxylate
SMILESC=C(NNS(=O)(=O)c1ccc(C)cc1)C1=CCC(C(=O)OC)C(C(=O)OC)C1
InChIInChI=1S/C19H24N2O6S/c1-12-5-8-15(9-6-12)28(24,25)21-20-13(2)14-7-10-16(18(22)26-3)17(11-14)19(23)27-4/h5-9,16-17,20-21H,2,10-11H2,1,3-4H3
InChIKeyFQLCEBWZKJKJNJ-UHFFFAOYSA-N
MW408.48 g/mol
LogP1.59
Rot. Bonds7

About dimethyl 4-[1-[2-(4-methylphenyl)sulfonylhydrazinyl]ethenyl]cyclohex-4-ene-1,2-dicarboxylate

dimethyl 4-[1-[2-(4-methylphenyl)sulfonylhydrazinyl]ethenyl]cyclohex-4-ene-1,2-dicarboxylate (PubChem CID 57047857) has the molecular formula C19H24N2O6S and a molecular weight of 408.48 g/mol. Its IUPAC name is dimethyl 4-[1-[2-(4-methylphenyl)sulfonylhydrazinyl]ethenyl]cyclohex-4-ene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-[1-[2-(4-methylphenyl)sulfonylhydrazinyl]ethenyl]cyclohex-4-ene-1,2-dicarboxylate
PubChem CID57047857
Molecular FormulaC19H24N2O6S
Molecular Weight408.48 g/mol
Exact Mass408.14
IUPAC Namedimethyl 4-[1-[2-(4-methylphenyl)sulfonylhydrazinyl]ethenyl]cyclohex-4-ene-1,2-dicarboxylate
SMILESC=C(NNS(=O)(=O)c1ccc(C)cc1)C1=CCC(C(=O)OC)C(C(=O)OC)C1
InChIInChI=1S/C19H24N2O6S/c1-12-5-8-15(9-6-12)28(24,25)21-20-13(2)14-7-10-16(18(22)26-3)17(11-14)19(23)27-4/h5-9,16-17,20-21H,2,10-11H2,1,3-4H3
InChIKeyFQLCEBWZKJKJNJ-UHFFFAOYSA-N
XLogP1.59
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4-[1-[2-(4-methylphenyl)sulfonylhydrazinyl]ethenyl]cyclohex-4-ene-1,2-dicarboxylate?
The IUPAC name of dimethyl 4-[1-[2-(4-methylphenyl)sulfonylhydrazinyl]ethenyl]cyclohex-4-ene-1,2-dicarboxylate (CID 57047857) is dimethyl 4-[1-[2-(4-methylphenyl)sulfonylhydrazinyl]ethenyl]cyclohex-4-ene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 4-[1-[2-(4-methylphenyl)sulfonylhydrazinyl]ethenyl]cyclohex-4-ene-1,2-dicarboxylate?
The canonical SMILES for dimethyl 4-[1-[2-(4-methylphenyl)sulfonylhydrazinyl]ethenyl]cyclohex-4-ene-1,2-dicarboxylate is C=C(NNS(=O)(=O)c1ccc(C)cc1)C1=CCC(C(=O)OC)C(C(=O)OC)C1.
What is the InChIKey of dimethyl 4-[1-[2-(4-methylphenyl)sulfonylhydrazinyl]ethenyl]cyclohex-4-ene-1,2-dicarboxylate?
The InChIKey is FQLCEBWZKJKJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6S/c1-12-5-8-15(9-6-12)28(24,25)21-20-13(2)14-7-10-16(18(22)26-3)17(11-14)19(23)27-4/h5-9,16-17,20-21H,2,10-11H2,1,3-4H3.
What are the key properties of dimethyl 4-[1-[2-(4-methylphenyl)sulfonylhydrazinyl]ethenyl]cyclohex-4-ene-1,2-dicarboxylate?
dimethyl 4-[1-[2-(4-methylphenyl)sulfonylhydrazinyl]ethenyl]cyclohex-4-ene-1,2-dicarboxylate has a molecular weight of 408.48 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-[1-[2-(4-methylphenyl)sulfonylhydrazinyl]ethenyl]cyclohex-4-ene-1,2-dicarboxylate is sourced from PubChem (CID 57047857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).