2,2,2-trichloro-N'-(4-chlorophenyl)sulfonylethanimidamide

C8H6Cl4N2O2S — CID 2974867

IUPAC2,2,2-trichloro-N'-(4-chlorophenyl)sulfonylethanimidamide
SMILESNC(=NS(=O)(=O)c1ccc(Cl)cc1)C(Cl)(Cl)Cl
InChIInChI=1S/C8H6Cl4N2O2S/c9-5-1-3-6(4-2-5)17(15,16)14-7(13)8(10,11)12/h1-4H,(H2,13,14)
InChIKeyKPZCYJKOLFBZBV-UHFFFAOYSA-N
MW336.03 g/mol
LogP2.76
Rot. Bonds2

About 2,2,2-trichloro-N'-(4-chlorophenyl)sulfonylethanimidamide

2,2,2-trichloro-N'-(4-chlorophenyl)sulfonylethanimidamide (PubChem CID 2974867) has the molecular formula C8H6Cl4N2O2S and a molecular weight of 336.03 g/mol. Its IUPAC name is 2,2,2-trichloro-N'-(4-chlorophenyl)sulfonylethanimidamide.

Molecular Properties

Compound Name2,2,2-trichloro-N'-(4-chlorophenyl)sulfonylethanimidamide
PubChem CID2974867
Molecular FormulaC8H6Cl4N2O2S
Molecular Weight336.03 g/mol
Exact Mass333.89
IUPAC Name2,2,2-trichloro-N'-(4-chlorophenyl)sulfonylethanimidamide
SMILESNC(=NS(=O)(=O)c1ccc(Cl)cc1)C(Cl)(Cl)Cl
InChIInChI=1S/C8H6Cl4N2O2S/c9-5-1-3-6(4-2-5)17(15,16)14-7(13)8(10,11)12/h1-4H,(H2,13,14)
InChIKeyKPZCYJKOLFBZBV-UHFFFAOYSA-N
XLogP2.76
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.03
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,2-trichloro-N'-(4-chlorophenyl)sulfonylethanimidamide 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

N'-(benzenesulfonyl)-2,2,2-trichloroethanimidamide
CID 34555254
N'-(4-chlorophenyl)sulfonylbenzenecarboximidamide
CID 555502
2,2-dimethyl-N'-(4-methylphenyl)sulfonylpropanimidamide
CID 73166022
2,2-dibromo-2-(4-chlorophenyl)sulfonylacetamide
CID 13344625
N-[1-(4-chlorophenyl)ethylidene]-4-methylbenzenesulfonamide
CID 74345526
4-chlorobenzenesulfonic acid;hydrazine
CID 157127100
methyl (Z)-N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate
CID 5414602
(4-chlorophenyl) (E)-N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate
CID 6384363
phenyl N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate
CID 2305334
4-[[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoic acid
CID 6156703
N'-(4-chlorophenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide
CID 2950669
cadmium;4-chlorobenzenesulfonic acid
CID 54603804

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N'-(4-chlorophenyl)sulfonylethanimidamide?
The IUPAC name of 2,2,2-trichloro-N'-(4-chlorophenyl)sulfonylethanimidamide (CID 2974867) is 2,2,2-trichloro-N'-(4-chlorophenyl)sulfonylethanimidamide.
What is the SMILES notation for 2,2,2-trichloro-N'-(4-chlorophenyl)sulfonylethanimidamide?
The canonical SMILES for 2,2,2-trichloro-N'-(4-chlorophenyl)sulfonylethanimidamide is NC(=NS(=O)(=O)c1ccc(Cl)cc1)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N'-(4-chlorophenyl)sulfonylethanimidamide?
The InChIKey is KPZCYJKOLFBZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl4N2O2S/c9-5-1-3-6(4-2-5)17(15,16)14-7(13)8(10,11)12/h1-4H,(H2,13,14).
What are the key properties of 2,2,2-trichloro-N'-(4-chlorophenyl)sulfonylethanimidamide?
2,2,2-trichloro-N'-(4-chlorophenyl)sulfonylethanimidamide has a molecular weight of 336.03 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N'-(4-chlorophenyl)sulfonylethanimidamide is sourced from PubChem (CID 2974867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).