N'-(benzenesulfonyl)-2,2,2-trifluoro-N-(3-methylphenyl)ethanimidamide

C15H13F3N2O2S — CID 6852774

IUPACN'-(benzenesulfonyl)-2,2,2-trifluoro-N-(3-methylphenyl)ethanimidamide
SMILESCc1cccc(N/C(=N\S(=O)(=O)c2ccccc2)C(F)(F)F)c1
InChIInChI=1S/C15H13F3N2O2S/c1-11-6-5-7-12(10-11)19-14(15(16,17)18)20-23(21,22)13-8-3-2-4-9-13/h2-10H,1H3,(H,19,20)
InChIKeyHOYZFWFOKHDXRS-UHFFFAOYSA-N
MW342.34 g/mol
LogP3.76
Rot. Bonds3

About N'-(benzenesulfonyl)-2,2,2-trifluoro-N-(3-methylphenyl)ethanimidamide

N'-(benzenesulfonyl)-2,2,2-trifluoro-N-(3-methylphenyl)ethanimidamide (PubChem CID 6852774) has the molecular formula C15H13F3N2O2S and a molecular weight of 342.34 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-2,2,2-trifluoro-N-(3-methylphenyl)ethanimidamide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-2,2,2-trifluoro-N-(3-methylphenyl)ethanimidamide
PubChem CID6852774
Molecular FormulaC15H13F3N2O2S
Molecular Weight342.34 g/mol
Exact Mass342.06
IUPAC NameN'-(benzenesulfonyl)-2,2,2-trifluoro-N-(3-methylphenyl)ethanimidamide
SMILESCc1cccc(N/C(=N\S(=O)(=O)c2ccccc2)C(F)(F)F)c1
InChIInChI=1S/C15H13F3N2O2S/c1-11-6-5-7-12(10-11)19-14(15(16,17)18)20-23(21,22)13-8-3-2-4-9-13/h2-10H,1H3,(H,19,20)
InChIKeyHOYZFWFOKHDXRS-UHFFFAOYSA-N
XLogP3.76
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-(benzenesulfonyl)-2,2,2-trifluoro-N-(3-methylphenyl)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'-(benzenesulfonyl)-2,2,2-trifluoro-N-(3-methylphenyl)ethanimidamide?
The IUPAC name of N'-(benzenesulfonyl)-2,2,2-trifluoro-N-(3-methylphenyl)ethanimidamide (CID 6852774) is N'-(benzenesulfonyl)-2,2,2-trifluoro-N-(3-methylphenyl)ethanimidamide.
What is the SMILES notation for N'-(benzenesulfonyl)-2,2,2-trifluoro-N-(3-methylphenyl)ethanimidamide?
The canonical SMILES for N'-(benzenesulfonyl)-2,2,2-trifluoro-N-(3-methylphenyl)ethanimidamide is Cc1cccc(N/C(=N\S(=O)(=O)c2ccccc2)C(F)(F)F)c1.
What is the InChIKey of N'-(benzenesulfonyl)-2,2,2-trifluoro-N-(3-methylphenyl)ethanimidamide?
The InChIKey is HOYZFWFOKHDXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2S/c1-11-6-5-7-12(10-11)19-14(15(16,17)18)20-23(21,22)13-8-3-2-4-9-13/h2-10H,1H3,(H,19,20).
What are the key properties of N'-(benzenesulfonyl)-2,2,2-trifluoro-N-(3-methylphenyl)ethanimidamide?
N'-(benzenesulfonyl)-2,2,2-trifluoro-N-(3-methylphenyl)ethanimidamide has a molecular weight of 342.34 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-2,2,2-trifluoro-N-(3-methylphenyl)ethanimidamide is sourced from PubChem (CID 6852774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).