2-(4-propan-2-ylphenyl)sulfonylpropanehydrazide

C12H18N2O3S — CID 75466428

IUPAC2-(4-propan-2-ylphenyl)sulfonylpropanehydrazide
SMILESCC(C)c1ccc(S(=O)(=O)C(C)C(=O)NN)cc1
InChIInChI=1S/C12H18N2O3S/c1-8(2)10-4-6-11(7-5-10)18(16,17)9(3)12(15)14-13/h4-9H,13H2,1-3H3,(H,14,15)
InChIKeyUMXPZTGGIVADQE-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.96
Rot. Bonds4

About 2-(4-propan-2-ylphenyl)sulfonylpropanehydrazide

2-(4-propan-2-ylphenyl)sulfonylpropanehydrazide (PubChem CID 75466428) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)sulfonylpropanehydrazide.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)sulfonylpropanehydrazide
PubChem CID75466428
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-(4-propan-2-ylphenyl)sulfonylpropanehydrazide
SMILESCC(C)c1ccc(S(=O)(=O)C(C)C(=O)NN)cc1
InChIInChI=1S/C12H18N2O3S/c1-8(2)10-4-6-11(7-5-10)18(16,17)9(3)12(15)14-13/h4-9H,13H2,1-3H3,(H,14,15)
InChIKeyUMXPZTGGIVADQE-UHFFFAOYSA-N
XLogP0.96
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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potassium 4-propan-2-ylbenzenesulfonamide
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2-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide
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(2S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-fluorophenyl)sulfonylpropanamide
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(4-methylsulfonylphenyl)-(4-propan-2-ylphenyl)methanone
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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)sulfonylpropanehydrazide?
The IUPAC name of 2-(4-propan-2-ylphenyl)sulfonylpropanehydrazide (CID 75466428) is 2-(4-propan-2-ylphenyl)sulfonylpropanehydrazide.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)sulfonylpropanehydrazide?
The canonical SMILES for 2-(4-propan-2-ylphenyl)sulfonylpropanehydrazide is CC(C)c1ccc(S(=O)(=O)C(C)C(=O)NN)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)sulfonylpropanehydrazide?
The InChIKey is UMXPZTGGIVADQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8(2)10-4-6-11(7-5-10)18(16,17)9(3)12(15)14-13/h4-9H,13H2,1-3H3,(H,14,15).
What are the key properties of 2-(4-propan-2-ylphenyl)sulfonylpropanehydrazide?
2-(4-propan-2-ylphenyl)sulfonylpropanehydrazide has a molecular weight of 270.35 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)sulfonylpropanehydrazide is sourced from PubChem (CID 75466428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).