2-oxo-N-propan-2-yl-2-[2-(2,3,4-trifluorophenyl)sulfonylhydrazinyl]acetamide

C11H12F3N3O4S — CID 8841063

IUPAC2-oxo-N-propan-2-yl-2-[2-(2,3,4-trifluorophenyl)sulfonylhydrazinyl]acetamide
SMILESCC(C)NC(=O)C(=O)NNS(=O)(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H12F3N3O4S/c1-5(2)15-10(18)11(19)16-17-22(20,21)7-4-3-6(12)8(13)9(7)14/h3-5,17H,1-2H3,(H,15,18)(H,16,19)
InChIKeyJIEHMUGBNJQEAH-UHFFFAOYSA-N
MW339.30 g/mol
LogP-0.06
Rot. Bonds4

About 2-oxo-N-propan-2-yl-2-[2-(2,3,4-trifluorophenyl)sulfonylhydrazinyl]acetamide

2-oxo-N-propan-2-yl-2-[2-(2,3,4-trifluorophenyl)sulfonylhydrazinyl]acetamide (PubChem CID 8841063) has the molecular formula C11H12F3N3O4S and a molecular weight of 339.30 g/mol. Its IUPAC name is 2-oxo-N-propan-2-yl-2-[2-(2,3,4-trifluorophenyl)sulfonylhydrazinyl]acetamide.

Molecular Properties

Compound Name2-oxo-N-propan-2-yl-2-[2-(2,3,4-trifluorophenyl)sulfonylhydrazinyl]acetamide
PubChem CID8841063
Molecular FormulaC11H12F3N3O4S
Molecular Weight339.30 g/mol
Exact Mass339.05
IUPAC Name2-oxo-N-propan-2-yl-2-[2-(2,3,4-trifluorophenyl)sulfonylhydrazinyl]acetamide
SMILESCC(C)NC(=O)C(=O)NNS(=O)(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H12F3N3O4S/c1-5(2)15-10(18)11(19)16-17-22(20,21)7-4-3-6(12)8(13)9(7)14/h3-5,17H,1-2H3,(H,15,18)(H,16,19)
InChIKeyJIEHMUGBNJQEAH-UHFFFAOYSA-N
XLogP-0.06
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', '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-oxo-N-propan-2-yl-2-[2-(2,3,4-trifluorophenyl)sulfonylhydrazinyl]acetamide?
The IUPAC name of 2-oxo-N-propan-2-yl-2-[2-(2,3,4-trifluorophenyl)sulfonylhydrazinyl]acetamide (CID 8841063) is 2-oxo-N-propan-2-yl-2-[2-(2,3,4-trifluorophenyl)sulfonylhydrazinyl]acetamide.
What is the SMILES notation for 2-oxo-N-propan-2-yl-2-[2-(2,3,4-trifluorophenyl)sulfonylhydrazinyl]acetamide?
The canonical SMILES for 2-oxo-N-propan-2-yl-2-[2-(2,3,4-trifluorophenyl)sulfonylhydrazinyl]acetamide is CC(C)NC(=O)C(=O)NNS(=O)(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of 2-oxo-N-propan-2-yl-2-[2-(2,3,4-trifluorophenyl)sulfonylhydrazinyl]acetamide?
The InChIKey is JIEHMUGBNJQEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O4S/c1-5(2)15-10(18)11(19)16-17-22(20,21)7-4-3-6(12)8(13)9(7)14/h3-5,17H,1-2H3,(H,15,18)(H,16,19).
What are the key properties of 2-oxo-N-propan-2-yl-2-[2-(2,3,4-trifluorophenyl)sulfonylhydrazinyl]acetamide?
2-oxo-N-propan-2-yl-2-[2-(2,3,4-trifluorophenyl)sulfonylhydrazinyl]acetamide has a molecular weight of 339.30 g/mol, XLogP of -0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-propan-2-yl-2-[2-(2,3,4-trifluorophenyl)sulfonylhydrazinyl]acetamide is sourced from PubChem (CID 8841063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).