2-amino-2-(4-fluorophenyl)sulfonyliminoethanimidoyl chloride

C8H7ClFN3O2S — CID 123840792

IUPAC2-amino-2-(4-fluorophenyl)sulfonyliminoethanimidoyl chloride
SMILES[H]/N=C(\Cl)C(N)=NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C8H7ClFN3O2S/c9-7(11)8(12)13-16(14,15)6-3-1-5(10)2-4-6/h1-4,11H,(H2,12,13)/b11-7-
InChIKeyIFXNGYNNXMEDJE-XFFZJAGNSA-N
MW263.68 g/mol
LogP1.09
Rot. Bonds3

About 2-amino-2-(4-fluorophenyl)sulfonyliminoethanimidoyl chloride

2-amino-2-(4-fluorophenyl)sulfonyliminoethanimidoyl chloride (PubChem CID 123840792) has the molecular formula C8H7ClFN3O2S and a molecular weight of 263.68 g/mol. Its IUPAC name is 2-amino-2-(4-fluorophenyl)sulfonyliminoethanimidoyl chloride.

Molecular Properties

Compound Name2-amino-2-(4-fluorophenyl)sulfonyliminoethanimidoyl chloride
PubChem CID123840792
Molecular FormulaC8H7ClFN3O2S
Molecular Weight263.68 g/mol
Exact Mass262.99
IUPAC Name2-amino-2-(4-fluorophenyl)sulfonyliminoethanimidoyl chloride
SMILES[H]/N=C(\Cl)C(N)=NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C8H7ClFN3O2S/c9-7(11)8(12)13-16(14,15)6-3-1-5(10)2-4-6/h1-4,11H,(H2,12,13)/b11-7-
InChIKeyIFXNGYNNXMEDJE-XFFZJAGNSA-N
XLogP1.09
TPSA96.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 51.09
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'}

Analyze 2-amino-2-(4-fluorophenyl)sulfonyliminoethanimidoyl chloride 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-amino-2-(4-fluorophenyl)sulfonyliminoethanimidoyl chloride?
The IUPAC name of 2-amino-2-(4-fluorophenyl)sulfonyliminoethanimidoyl chloride (CID 123840792) is 2-amino-2-(4-fluorophenyl)sulfonyliminoethanimidoyl chloride.
What is the SMILES notation for 2-amino-2-(4-fluorophenyl)sulfonyliminoethanimidoyl chloride?
The canonical SMILES for 2-amino-2-(4-fluorophenyl)sulfonyliminoethanimidoyl chloride is [H]/N=C(\Cl)C(N)=NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-amino-2-(4-fluorophenyl)sulfonyliminoethanimidoyl chloride?
The InChIKey is IFXNGYNNXMEDJE-XFFZJAGNSA-N. The full InChI is InChI=1S/C8H7ClFN3O2S/c9-7(11)8(12)13-16(14,15)6-3-1-5(10)2-4-6/h1-4,11H,(H2,12,13)/b11-7-.
What are the key properties of 2-amino-2-(4-fluorophenyl)sulfonyliminoethanimidoyl chloride?
2-amino-2-(4-fluorophenyl)sulfonyliminoethanimidoyl chloride has a molecular weight of 263.68 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-fluorophenyl)sulfonyliminoethanimidoyl chloride is sourced from PubChem (CID 123840792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).