2-[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide

C12H13ClF3N3O4S — CID 8841014

IUPAC2-[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)NNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C12H13ClF3N3O4S/c1-6(2)17-10(20)11(21)18-19-24(22,23)7-3-4-9(13)8(5-7)12(14,15)16/h3-6,19H,1-2H3,(H,17,20)(H,18,21)
InChIKeyYIFXQDJQXNSAKU-UHFFFAOYSA-N
MW387.77 g/mol
LogP1.19
Rot. Bonds4

About 2-[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide

2-[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide (PubChem CID 8841014) has the molecular formula C12H13ClF3N3O4S and a molecular weight of 387.77 g/mol. Its IUPAC name is 2-[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide
PubChem CID8841014
Molecular FormulaC12H13ClF3N3O4S
Molecular Weight387.77 g/mol
Exact Mass387.03
IUPAC Name2-[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)NNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C12H13ClF3N3O4S/c1-6(2)17-10(20)11(21)18-19-24(22,23)7-3-4-9(13)8(5-7)12(14,15)16/h3-6,19H,1-2H3,(H,17,20)(H,18,21)
InChIKeyYIFXQDJQXNSAKU-UHFFFAOYSA-N
XLogP1.19
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.77
LogP ≤ 51.19
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-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide (CID 8841014) is 2-[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide is CC(C)NC(=O)C(=O)NNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 2-[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide?
The InChIKey is YIFXQDJQXNSAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3N3O4S/c1-6(2)17-10(20)11(21)18-19-24(22,23)7-3-4-9(13)8(5-7)12(14,15)16/h3-6,19H,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 2-[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide?
2-[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide has a molecular weight of 387.77 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide is sourced from PubChem (CID 8841014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).