N'-hydroxy-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethanimidamide

C10H11F3N2O3S — CID 2743769

IUPACN'-hydroxy-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethanimidamide
SMILESNC(CS(=O)(=O)Cc1cccc(C(F)(F)F)c1)=NO
InChIInChI=1S/C10H11F3N2O3S/c11-10(12,13)8-3-1-2-7(4-8)5-19(17,18)6-9(14)15-16/h1-4,16H,5-6H2,(H2,14,15)
InChIKeyFCRPJEFTZOATKI-UHFFFAOYSA-N
MW296.27 g/mol
LogP1.37
Rot. Bonds4

About N'-hydroxy-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethanimidamide

N'-hydroxy-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethanimidamide (PubChem CID 2743769) has the molecular formula C10H11F3N2O3S and a molecular weight of 296.27 g/mol. Its IUPAC name is N'-hydroxy-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethanimidamide
PubChem CID2743769
Molecular FormulaC10H11F3N2O3S
Molecular Weight296.27 g/mol
Exact Mass296.04
IUPAC NameN'-hydroxy-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethanimidamide
SMILESNC(CS(=O)(=O)Cc1cccc(C(F)(F)F)c1)=NO
InChIInChI=1S/C10H11F3N2O3S/c11-10(12,13)8-3-1-2-7(4-8)5-19(17,18)6-9(14)15-16/h1-4,16H,5-6H2,(H2,14,15)
InChIKeyFCRPJEFTZOATKI-UHFFFAOYSA-N
XLogP1.37
TPSA92.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethanimidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethanimidamide (CID 2743769) is N'-hydroxy-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethanimidamide is NC(CS(=O)(=O)Cc1cccc(C(F)(F)F)c1)=NO.
What is the InChIKey of N'-hydroxy-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethanimidamide?
The InChIKey is FCRPJEFTZOATKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3S/c11-10(12,13)8-3-1-2-7(4-8)5-19(17,18)6-9(14)15-16/h1-4,16H,5-6H2,(H2,14,15).
What are the key properties of N'-hydroxy-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethanimidamide?
N'-hydroxy-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethanimidamide has a molecular weight of 296.27 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethanimidamide is sourced from PubChem (CID 2743769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).