2-[2-(2,6-difluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide

C11H13F2N3O4S — CID 8841069

IUPAC2-[2-(2,6-difluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)NNS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C11H13F2N3O4S/c1-6(2)14-10(17)11(18)15-16-21(19,20)9-7(12)4-3-5-8(9)13/h3-6,16H,1-2H3,(H,14,17)(H,15,18)
InChIKeyXDOOEDHVOFHROP-UHFFFAOYSA-N
MW321.31 g/mol
LogP-0.20
Rot. Bonds4

About 2-[2-(2,6-difluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide

2-[2-(2,6-difluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide (PubChem CID 8841069) has the molecular formula C11H13F2N3O4S and a molecular weight of 321.31 g/mol. Its IUPAC name is 2-[2-(2,6-difluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(2,6-difluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide
PubChem CID8841069
Molecular FormulaC11H13F2N3O4S
Molecular Weight321.31 g/mol
Exact Mass321.06
IUPAC Name2-[2-(2,6-difluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)NNS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C11H13F2N3O4S/c1-6(2)14-10(17)11(18)15-16-21(19,20)9-7(12)4-3-5-8(9)13/h3-6,16H,1-2H3,(H,14,17)(H,15,18)
InChIKeyXDOOEDHVOFHROP-UHFFFAOYSA-N
XLogP-0.20
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 5-0.20
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-(2,6-difluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(2,6-difluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide (CID 8841069) is 2-[2-(2,6-difluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(2,6-difluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(2,6-difluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide is CC(C)NC(=O)C(=O)NNS(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of 2-[2-(2,6-difluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide?
The InChIKey is XDOOEDHVOFHROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O4S/c1-6(2)14-10(17)11(18)15-16-21(19,20)9-7(12)4-3-5-8(9)13/h3-6,16H,1-2H3,(H,14,17)(H,15,18).
What are the key properties of 2-[2-(2,6-difluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide?
2-[2-(2,6-difluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide has a molecular weight of 321.31 g/mol, XLogP of -0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-difluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide is sourced from PubChem (CID 8841069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).