1-(2-hydrazinyl-6-methylsulfonylphenyl)ethanone

C9H12N2O3S — CID 174677262

IUPAC1-(2-hydrazinyl-6-methylsulfonylphenyl)ethanone
SMILESCC(=O)c1c(NN)cccc1S(C)(=O)=O
InChIInChI=1S/C9H12N2O3S/c1-6(12)9-7(11-10)4-3-5-8(9)15(2,13)14/h3-5,11H,10H2,1-2H3
InChIKeyCKSZVWNRFHEXPG-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.58
Rot. Bonds3

About 1-(2-hydrazinyl-6-methylsulfonylphenyl)ethanone

1-(2-hydrazinyl-6-methylsulfonylphenyl)ethanone (PubChem CID 174677262) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 1-(2-hydrazinyl-6-methylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-hydrazinyl-6-methylsulfonylphenyl)ethanone
PubChem CID174677262
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name1-(2-hydrazinyl-6-methylsulfonylphenyl)ethanone
SMILESCC(=O)c1c(NN)cccc1S(C)(=O)=O
InChIInChI=1S/C9H12N2O3S/c1-6(12)9-7(11-10)4-3-5-8(9)15(2,13)14/h3-5,11H,10H2,1-2H3
InChIKeyCKSZVWNRFHEXPG-UHFFFAOYSA-N
XLogP0.58
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 1-(2-hydrazinyl-6-methylsulfonylphenyl)ethanone?
The IUPAC name of 1-(2-hydrazinyl-6-methylsulfonylphenyl)ethanone (CID 174677262) is 1-(2-hydrazinyl-6-methylsulfonylphenyl)ethanone.
What is the SMILES notation for 1-(2-hydrazinyl-6-methylsulfonylphenyl)ethanone?
The canonical SMILES for 1-(2-hydrazinyl-6-methylsulfonylphenyl)ethanone is CC(=O)c1c(NN)cccc1S(C)(=O)=O.
What is the InChIKey of 1-(2-hydrazinyl-6-methylsulfonylphenyl)ethanone?
The InChIKey is CKSZVWNRFHEXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-6(12)9-7(11-10)4-3-5-8(9)15(2,13)14/h3-5,11H,10H2,1-2H3.
What are the key properties of 1-(2-hydrazinyl-6-methylsulfonylphenyl)ethanone?
1-(2-hydrazinyl-6-methylsulfonylphenyl)ethanone has a molecular weight of 228.27 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydrazinyl-6-methylsulfonylphenyl)ethanone is sourced from PubChem (CID 174677262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).