2-chloro-N'-[2-(4-chlorophenyl)ethyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide

C19H16Cl2N2O2S2 — CID 2234675

IUPAC2-chloro-N'-[2-(4-chlorophenyl)ethyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide
SMILESO=S(=O)(N/C(=N\CCc1ccc(Cl)cc1)c1ccccc1Cl)c1cccs1
InChIInChI=1S/C19H16Cl2N2O2S2/c20-15-9-7-14(8-10-15)11-12-22-19(16-4-1-2-5-17(16)21)23-27(24,25)18-6-3-13-26-18/h1-10,13H,11-12H2,(H,22,23)
InChIKeyRDJSZEISDAHKIK-UHFFFAOYSA-N
MW439.39 g/mol
LogP5.02
Rot. Bonds6

About 2-chloro-N'-[2-(4-chlorophenyl)ethyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide

2-chloro-N'-[2-(4-chlorophenyl)ethyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide (PubChem CID 2234675) has the molecular formula C19H16Cl2N2O2S2 and a molecular weight of 439.39 g/mol. Its IUPAC name is 2-chloro-N'-[2-(4-chlorophenyl)ethyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-N'-[2-(4-chlorophenyl)ethyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide
PubChem CID2234675
Molecular FormulaC19H16Cl2N2O2S2
Molecular Weight439.39 g/mol
Exact Mass438.00
IUPAC Name2-chloro-N'-[2-(4-chlorophenyl)ethyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide
SMILESO=S(=O)(N/C(=N\CCc1ccc(Cl)cc1)c1ccccc1Cl)c1cccs1
InChIInChI=1S/C19H16Cl2N2O2S2/c20-15-9-7-14(8-10-15)11-12-22-19(16-4-1-2-5-17(16)21)23-27(24,25)18-6-3-13-26-18/h1-10,13H,11-12H2,(H,22,23)
InChIKeyRDJSZEISDAHKIK-UHFFFAOYSA-N
XLogP5.02
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.39
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-N'-[2-(4-chlorophenyl)ethyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide 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 2-chloro-N'-[2-(4-chlorophenyl)ethyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide?
The IUPAC name of 2-chloro-N'-[2-(4-chlorophenyl)ethyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide (CID 2234675) is 2-chloro-N'-[2-(4-chlorophenyl)ethyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide.
What is the SMILES notation for 2-chloro-N'-[2-(4-chlorophenyl)ethyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide?
The canonical SMILES for 2-chloro-N'-[2-(4-chlorophenyl)ethyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide is O=S(=O)(N/C(=N\CCc1ccc(Cl)cc1)c1ccccc1Cl)c1cccs1.
What is the InChIKey of 2-chloro-N'-[2-(4-chlorophenyl)ethyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide?
The InChIKey is RDJSZEISDAHKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2S2/c20-15-9-7-14(8-10-15)11-12-22-19(16-4-1-2-5-17(16)21)23-27(24,25)18-6-3-13-26-18/h1-10,13H,11-12H2,(H,22,23).
What are the key properties of 2-chloro-N'-[2-(4-chlorophenyl)ethyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide?
2-chloro-N'-[2-(4-chlorophenyl)ethyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide has a molecular weight of 439.39 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[2-(4-chlorophenyl)ethyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide is sourced from PubChem (CID 2234675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).