(1Z)-N-(benzenesulfonyl)-2,2,2-trichloroethanimidoyl chloride

C8H5Cl4NO2S — CID 11393061

IUPAC(1Z)-N-(benzenesulfonyl)-2,2,2-trichloroethanimidoyl chloride
SMILESO=S(=O)(/N=C(\Cl)C(Cl)(Cl)Cl)c1ccccc1
InChIInChI=1S/C8H5Cl4NO2S/c9-7(8(10,11)12)13-16(14,15)6-4-2-1-3-5-6/h1-5H/b13-7-
InChIKeyIFQNRRUWYRJNBQ-QPEQYQDCSA-N
MW321.01 g/mol
LogP3.38
Rot. Bonds2

About (1Z)-N-(benzenesulfonyl)-2,2,2-trichloroethanimidoyl chloride

(1Z)-N-(benzenesulfonyl)-2,2,2-trichloroethanimidoyl chloride (PubChem CID 11393061) has the molecular formula C8H5Cl4NO2S and a molecular weight of 321.01 g/mol. Its IUPAC name is (1Z)-N-(benzenesulfonyl)-2,2,2-trichloroethanimidoyl chloride.

Molecular Properties

Compound Name(1Z)-N-(benzenesulfonyl)-2,2,2-trichloroethanimidoyl chloride
PubChem CID11393061
Molecular FormulaC8H5Cl4NO2S
Molecular Weight321.01 g/mol
Exact Mass318.88
IUPAC Name(1Z)-N-(benzenesulfonyl)-2,2,2-trichloroethanimidoyl chloride
SMILESO=S(=O)(/N=C(\Cl)C(Cl)(Cl)Cl)c1ccccc1
InChIInChI=1S/C8H5Cl4NO2S/c9-7(8(10,11)12)13-16(14,15)6-4-2-1-3-5-6/h1-5H/b13-7-
InChIKeyIFQNRRUWYRJNBQ-QPEQYQDCSA-N
XLogP3.38
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.01
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1Z)-N-(benzenesulfonyl)-2,2,2-trichloroethanimidoyl 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 (1Z)-N-(benzenesulfonyl)-2,2,2-trichloroethanimidoyl chloride?
The IUPAC name of (1Z)-N-(benzenesulfonyl)-2,2,2-trichloroethanimidoyl chloride (CID 11393061) is (1Z)-N-(benzenesulfonyl)-2,2,2-trichloroethanimidoyl chloride.
What is the SMILES notation for (1Z)-N-(benzenesulfonyl)-2,2,2-trichloroethanimidoyl chloride?
The canonical SMILES for (1Z)-N-(benzenesulfonyl)-2,2,2-trichloroethanimidoyl chloride is O=S(=O)(/N=C(\Cl)C(Cl)(Cl)Cl)c1ccccc1.
What is the InChIKey of (1Z)-N-(benzenesulfonyl)-2,2,2-trichloroethanimidoyl chloride?
The InChIKey is IFQNRRUWYRJNBQ-QPEQYQDCSA-N. The full InChI is InChI=1S/C8H5Cl4NO2S/c9-7(8(10,11)12)13-16(14,15)6-4-2-1-3-5-6/h1-5H/b13-7-.
What are the key properties of (1Z)-N-(benzenesulfonyl)-2,2,2-trichloroethanimidoyl chloride?
(1Z)-N-(benzenesulfonyl)-2,2,2-trichloroethanimidoyl chloride has a molecular weight of 321.01 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-(benzenesulfonyl)-2,2,2-trichloroethanimidoyl chloride is sourced from PubChem (CID 11393061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).