2-(4-chlorophenyl)ethyl-[(2-chlorophenyl)-(thiophen-2-ylsulfonylamino)methylidene]azanium

C19H17Cl2N2O2S2+ — CID 2234674

IUPAC2-(4-chlorophenyl)ethyl-[(2-chlorophenyl)-(thiophen-2-ylsulfonylamino)methylidene]azanium
SMILESO=S(=O)(N/C(=[NH+]\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)/p+1
InChIKeyRDJSZEISDAHKIK-UHFFFAOYSA-O
MW440.40 g/mol
LogP3.10
Rot. Bonds6

About 2-(4-chlorophenyl)ethyl-[(2-chlorophenyl)-(thiophen-2-ylsulfonylamino)methylidene]azanium

2-(4-chlorophenyl)ethyl-[(2-chlorophenyl)-(thiophen-2-ylsulfonylamino)methylidene]azanium (PubChem CID 2234674) has the molecular formula C19H17Cl2N2O2S2+ and a molecular weight of 440.40 g/mol. Its IUPAC name is 2-(4-chlorophenyl)ethyl-[(2-chlorophenyl)-(thiophen-2-ylsulfonylamino)methylidene]azanium.

Molecular Properties

Compound Name2-(4-chlorophenyl)ethyl-[(2-chlorophenyl)-(thiophen-2-ylsulfonylamino)methylidene]azanium
PubChem CID2234674
Molecular FormulaC19H17Cl2N2O2S2+
Molecular Weight440.40 g/mol
Exact Mass439.01
IUPAC Name2-(4-chlorophenyl)ethyl-[(2-chlorophenyl)-(thiophen-2-ylsulfonylamino)methylidene]azanium
SMILESO=S(=O)(N/C(=[NH+]\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)/p+1
InChIKeyRDJSZEISDAHKIK-UHFFFAOYSA-O
XLogP3.10
TPSA60.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
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)ethyl-[(2-chlorophenyl)-(thiophen-2-ylsulfonylamino)methylidene]azanium?
The IUPAC name of 2-(4-chlorophenyl)ethyl-[(2-chlorophenyl)-(thiophen-2-ylsulfonylamino)methylidene]azanium (CID 2234674) is 2-(4-chlorophenyl)ethyl-[(2-chlorophenyl)-(thiophen-2-ylsulfonylamino)methylidene]azanium.
What is the SMILES notation for 2-(4-chlorophenyl)ethyl-[(2-chlorophenyl)-(thiophen-2-ylsulfonylamino)methylidene]azanium?
The canonical SMILES for 2-(4-chlorophenyl)ethyl-[(2-chlorophenyl)-(thiophen-2-ylsulfonylamino)methylidene]azanium is O=S(=O)(N/C(=[NH+]\CCc1ccc(Cl)cc1)c1ccccc1Cl)c1cccs1.
What is the InChIKey of 2-(4-chlorophenyl)ethyl-[(2-chlorophenyl)-(thiophen-2-ylsulfonylamino)methylidene]azanium?
The InChIKey is RDJSZEISDAHKIK-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of 2-(4-chlorophenyl)ethyl-[(2-chlorophenyl)-(thiophen-2-ylsulfonylamino)methylidene]azanium?
2-(4-chlorophenyl)ethyl-[(2-chlorophenyl)-(thiophen-2-ylsulfonylamino)methylidene]azanium has a molecular weight of 440.40 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)ethyl-[(2-chlorophenyl)-(thiophen-2-ylsulfonylamino)methylidene]azanium is sourced from PubChem (CID 2234674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).