2-(4-chlorophenyl)sulfanyl-N'-(4-chlorophenyl)sulfonylethanimidamide

C14H12Cl2N2O2S2 — CID 2805039

IUPAC2-(4-chlorophenyl)sulfanyl-N'-(4-chlorophenyl)sulfonylethanimidamide
SMILESNC(CSc1ccc(Cl)cc1)=NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H12Cl2N2O2S2/c15-10-1-5-12(6-2-10)21-9-14(17)18-22(19,20)13-7-3-11(16)4-8-13/h1-8H,9H2,(H2,17,18)
InChIKeyARHUQTPRUKXVDG-UHFFFAOYSA-N
MW375.30 g/mol
LogP3.83
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-N'-(4-chlorophenyl)sulfonylethanimidamide

2-(4-chlorophenyl)sulfanyl-N'-(4-chlorophenyl)sulfonylethanimidamide (PubChem CID 2805039) has the molecular formula C14H12Cl2N2O2S2 and a molecular weight of 375.30 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N'-(4-chlorophenyl)sulfonylethanimidamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N'-(4-chlorophenyl)sulfonylethanimidamide
PubChem CID2805039
Molecular FormulaC14H12Cl2N2O2S2
Molecular Weight375.30 g/mol
Exact Mass373.97
IUPAC Name2-(4-chlorophenyl)sulfanyl-N'-(4-chlorophenyl)sulfonylethanimidamide
SMILESNC(CSc1ccc(Cl)cc1)=NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H12Cl2N2O2S2/c15-10-1-5-12(6-2-10)21-9-14(17)18-22(19,20)13-7-3-11(16)4-8-13/h1-8H,9H2,(H2,17,18)
InChIKeyARHUQTPRUKXVDG-UHFFFAOYSA-N
XLogP3.83
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N'-(4-chlorophenyl)sulfonylethanimidamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N'-(4-chlorophenyl)sulfonylethanimidamide (CID 2805039) is 2-(4-chlorophenyl)sulfanyl-N'-(4-chlorophenyl)sulfonylethanimidamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N'-(4-chlorophenyl)sulfonylethanimidamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N'-(4-chlorophenyl)sulfonylethanimidamide is NC(CSc1ccc(Cl)cc1)=NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N'-(4-chlorophenyl)sulfonylethanimidamide?
The InChIKey is ARHUQTPRUKXVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2S2/c15-10-1-5-12(6-2-10)21-9-14(17)18-22(19,20)13-7-3-11(16)4-8-13/h1-8H,9H2,(H2,17,18).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N'-(4-chlorophenyl)sulfonylethanimidamide?
2-(4-chlorophenyl)sulfanyl-N'-(4-chlorophenyl)sulfonylethanimidamide has a molecular weight of 375.30 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N'-(4-chlorophenyl)sulfonylethanimidamide is sourced from PubChem (CID 2805039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).