2-[2-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylhydrazinyl]-N-cyclopropyl-2-oxoacetamide

C12H11ClF3N3O4S — CID 8841202

IUPAC2-[2-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylhydrazinyl]-N-cyclopropyl-2-oxoacetamide
SMILESO=C(NNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)NC1CC1
InChIInChI=1S/C12H11ClF3N3O4S/c13-8-4-1-6(12(14,15)16)5-9(8)24(22,23)19-18-11(21)10(20)17-7-2-3-7/h1,4-5,7,19H,2-3H2,(H,17,20)(H,18,21)
InChIKeyXEWTZUFLLZUMIC-UHFFFAOYSA-N
MW385.75 g/mol
LogP0.95
Rot. Bonds4

About 2-[2-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylhydrazinyl]-N-cyclopropyl-2-oxoacetamide

2-[2-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylhydrazinyl]-N-cyclopropyl-2-oxoacetamide (PubChem CID 8841202) has the molecular formula C12H11ClF3N3O4S and a molecular weight of 385.75 g/mol. Its IUPAC name is 2-[2-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylhydrazinyl]-N-cyclopropyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylhydrazinyl]-N-cyclopropyl-2-oxoacetamide
PubChem CID8841202
Molecular FormulaC12H11ClF3N3O4S
Molecular Weight385.75 g/mol
Exact Mass385.01
IUPAC Name2-[2-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylhydrazinyl]-N-cyclopropyl-2-oxoacetamide
SMILESO=C(NNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)NC1CC1
InChIInChI=1S/C12H11ClF3N3O4S/c13-8-4-1-6(12(14,15)16)5-9(8)24(22,23)19-18-11(21)10(20)17-7-2-3-7/h1,4-5,7,19H,2-3H2,(H,17,20)(H,18,21)
InChIKeyXEWTZUFLLZUMIC-UHFFFAOYSA-N
XLogP0.95
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.75
LogP ≤ 50.95
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'}

Analyze 2-[2-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylhydrazinyl]-N-cyclopropyl-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-Chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-2-one
CID 4965389
N-tert-butyl-2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-ethylamino]acetamide
CID 2104383
2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-cycloheptylacetamide
CID 17510504
N-[2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]ethyl]acetamide
CID 3824070
2-((N-Allyl-4-chloro-3-(trifluoromethyl)phenyl)sulfonamido)-N-cyclopropylacetamide
CID 4846209
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclohexylacetamide
CID 8713326
(2R)-2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-ethylpropanamide
CID 8802505
(2S)-2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-ethylpropanamide
CID 8802509
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 8815621
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-cyclopropylacetamide
CID 8816600
2-[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 8841014
2-[2-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 8841018

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylhydrazinyl]-N-cyclopropyl-2-oxoacetamide?
The IUPAC name of 2-[2-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylhydrazinyl]-N-cyclopropyl-2-oxoacetamide (CID 8841202) is 2-[2-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylhydrazinyl]-N-cyclopropyl-2-oxoacetamide.
What is the SMILES notation for 2-[2-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylhydrazinyl]-N-cyclopropyl-2-oxoacetamide?
The canonical SMILES for 2-[2-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylhydrazinyl]-N-cyclopropyl-2-oxoacetamide is O=C(NNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)NC1CC1.
What is the InChIKey of 2-[2-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylhydrazinyl]-N-cyclopropyl-2-oxoacetamide?
The InChIKey is XEWTZUFLLZUMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3N3O4S/c13-8-4-1-6(12(14,15)16)5-9(8)24(22,23)19-18-11(21)10(20)17-7-2-3-7/h1,4-5,7,19H,2-3H2,(H,17,20)(H,18,21).
What are the key properties of 2-[2-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylhydrazinyl]-N-cyclopropyl-2-oxoacetamide?
2-[2-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylhydrazinyl]-N-cyclopropyl-2-oxoacetamide has a molecular weight of 385.75 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylhydrazinyl]-N-cyclopropyl-2-oxoacetamide is sourced from PubChem (CID 8841202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).