2-[2-(3-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide

C11H14FN3O4S — CID 8841004

IUPAC2-[2-(3-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)NNS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C11H14FN3O4S/c1-7(2)13-10(16)11(17)14-15-20(18,19)9-5-3-4-8(12)6-9/h3-7,15H,1-2H3,(H,13,16)(H,14,17)
InChIKeyKJKZDCXTYGTIRY-UHFFFAOYSA-N
MW303.32 g/mol
LogP-0.34
Rot. Bonds4

About 2-[2-(3-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide

2-[2-(3-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide (PubChem CID 8841004) has the molecular formula C11H14FN3O4S and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide
PubChem CID8841004
Molecular FormulaC11H14FN3O4S
Molecular Weight303.32 g/mol
Exact Mass303.07
IUPAC Name2-[2-(3-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)NNS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C11H14FN3O4S/c1-7(2)13-10(16)11(17)14-15-20(18,19)9-5-3-4-8(12)6-9/h3-7,15H,1-2H3,(H,13,16)(H,14,17)
InChIKeyKJKZDCXTYGTIRY-UHFFFAOYSA-N
XLogP-0.34
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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-[2-(3-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(3-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide (CID 8841004) is 2-[2-(3-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(3-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(3-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide is CC(C)NC(=O)C(=O)NNS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 2-[2-(3-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide?
The InChIKey is KJKZDCXTYGTIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O4S/c1-7(2)13-10(16)11(17)14-15-20(18,19)9-5-3-4-8(12)6-9/h3-7,15H,1-2H3,(H,13,16)(H,14,17).
What are the key properties of 2-[2-(3-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide?
2-[2-(3-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide has a molecular weight of 303.32 g/mol, XLogP of -0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide is sourced from PubChem (CID 8841004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).