2-[(4-fluorophenyl)methylsulfonyl]-2-methylpropanehydrazide

C11H15FN2O3S — CID 58057153

IUPAC2-[(4-fluorophenyl)methylsulfonyl]-2-methylpropanehydrazide
SMILESCC(C)(C(=O)NN)S(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C11H15FN2O3S/c1-11(2,10(15)14-13)18(16,17)7-8-3-5-9(12)6-4-8/h3-6H,7,13H2,1-2H3,(H,14,15)
InChIKeyVMUIXIRNYDKVCZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.51
Rot. Bonds4

About 2-[(4-fluorophenyl)methylsulfonyl]-2-methylpropanehydrazide

2-[(4-fluorophenyl)methylsulfonyl]-2-methylpropanehydrazide (PubChem CID 58057153) has the molecular formula C11H15FN2O3S and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfonyl]-2-methylpropanehydrazide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfonyl]-2-methylpropanehydrazide
PubChem CID58057153
Molecular FormulaC11H15FN2O3S
Molecular Weight274.32 g/mol
Exact Mass274.08
IUPAC Name2-[(4-fluorophenyl)methylsulfonyl]-2-methylpropanehydrazide
SMILESCC(C)(C(=O)NN)S(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C11H15FN2O3S/c1-11(2,10(15)14-13)18(16,17)7-8-3-5-9(12)6-4-8/h3-6H,7,13H2,1-2H3,(H,14,15)
InChIKeyVMUIXIRNYDKVCZ-UHFFFAOYSA-N
XLogP0.51
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.51
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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfonyl]-2-methylpropanehydrazide?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfonyl]-2-methylpropanehydrazide (CID 58057153) is 2-[(4-fluorophenyl)methylsulfonyl]-2-methylpropanehydrazide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfonyl]-2-methylpropanehydrazide?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfonyl]-2-methylpropanehydrazide is CC(C)(C(=O)NN)S(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfonyl]-2-methylpropanehydrazide?
The InChIKey is VMUIXIRNYDKVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3S/c1-11(2,10(15)14-13)18(16,17)7-8-3-5-9(12)6-4-8/h3-6H,7,13H2,1-2H3,(H,14,15).
What are the key properties of 2-[(4-fluorophenyl)methylsulfonyl]-2-methylpropanehydrazide?
2-[(4-fluorophenyl)methylsulfonyl]-2-methylpropanehydrazide has a molecular weight of 274.32 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfonyl]-2-methylpropanehydrazide is sourced from PubChem (CID 58057153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).