2-methyl-N'-(4-methylphenyl)sulfonylprop-2-enehydrazide

C11H14N2O3S — CID 2272939

IUPAC2-methyl-N'-(4-methylphenyl)sulfonylprop-2-enehydrazide
SMILESC=C(C)C(=O)NNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H14N2O3S/c1-8(2)11(14)12-13-17(15,16)10-6-4-9(3)5-7-10/h4-7,13H,1H2,2-3H3,(H,12,14)
InChIKeyIEDMXLMZVBJRND-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.88
Rot. Bonds4

About 2-methyl-N'-(4-methylphenyl)sulfonylprop-2-enehydrazide

2-methyl-N'-(4-methylphenyl)sulfonylprop-2-enehydrazide (PubChem CID 2272939) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-methyl-N'-(4-methylphenyl)sulfonylprop-2-enehydrazide.

Molecular Properties

Compound Name2-methyl-N'-(4-methylphenyl)sulfonylprop-2-enehydrazide
PubChem CID2272939
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name2-methyl-N'-(4-methylphenyl)sulfonylprop-2-enehydrazide
SMILESC=C(C)C(=O)NNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H14N2O3S/c1-8(2)11(14)12-13-17(15,16)10-6-4-9(3)5-7-10/h4-7,13H,1H2,2-3H3,(H,12,14)
InChIKeyIEDMXLMZVBJRND-UHFFFAOYSA-N
XLogP0.88
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-methyl-N'-(4-methylphenyl)sulfonylprop-2-enehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(4-methylphenyl)sulfonylprop-2-enehydrazide?
The IUPAC name of 2-methyl-N'-(4-methylphenyl)sulfonylprop-2-enehydrazide (CID 2272939) is 2-methyl-N'-(4-methylphenyl)sulfonylprop-2-enehydrazide.
What is the SMILES notation for 2-methyl-N'-(4-methylphenyl)sulfonylprop-2-enehydrazide?
The canonical SMILES for 2-methyl-N'-(4-methylphenyl)sulfonylprop-2-enehydrazide is C=C(C)C(=O)NNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-methyl-N'-(4-methylphenyl)sulfonylprop-2-enehydrazide?
The InChIKey is IEDMXLMZVBJRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-8(2)11(14)12-13-17(15,16)10-6-4-9(3)5-7-10/h4-7,13H,1H2,2-3H3,(H,12,14).
What are the key properties of 2-methyl-N'-(4-methylphenyl)sulfonylprop-2-enehydrazide?
2-methyl-N'-(4-methylphenyl)sulfonylprop-2-enehydrazide has a molecular weight of 254.31 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(4-methylphenyl)sulfonylprop-2-enehydrazide is sourced from PubChem (CID 2272939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).