(E)-2-(4-chlorophenyl)-N-(2-chloro-4-pyridinyl)ethenesulfonamide

C13H10Cl2N2O2S — CID 103944087

IUPAC(E)-2-(4-chlorophenyl)-N-(2-chloro-4-pyridinyl)ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccc(Cl)cc1)Nc1ccnc(Cl)c1
InChIInChI=1S/C13H10Cl2N2O2S/c14-11-3-1-10(2-4-11)6-8-20(18,19)17-12-5-7-16-13(15)9-12/h1-9H,(H,16,17)/b8-6+
InChIKeyXPBZWFNYISXTJG-SOFGYWHQSA-N
MW329.21 g/mol
LogP3.80
Rot. Bonds4

About (E)-2-(4-chlorophenyl)-N-(2-chloro-4-pyridinyl)ethenesulfonamide

(E)-2-(4-chlorophenyl)-N-(2-chloro-4-pyridinyl)ethenesulfonamide (PubChem CID 103944087) has the molecular formula C13H10Cl2N2O2S and a molecular weight of 329.21 g/mol. Its IUPAC name is (E)-2-(4-chlorophenyl)-N-(2-chloro-4-pyridinyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-chlorophenyl)-N-(2-chloro-4-pyridinyl)ethenesulfonamide
PubChem CID103944087
Molecular FormulaC13H10Cl2N2O2S
Molecular Weight329.21 g/mol
Exact Mass327.98
IUPAC Name(E)-2-(4-chlorophenyl)-N-(2-chloro-4-pyridinyl)ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccc(Cl)cc1)Nc1ccnc(Cl)c1
InChIInChI=1S/C13H10Cl2N2O2S/c14-11-3-1-10(2-4-11)6-8-20(18,19)17-12-5-7-16-13(15)9-12/h1-9H,(H,16,17)/b8-6+
InChIKeyXPBZWFNYISXTJG-SOFGYWHQSA-N
XLogP3.80
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (E)-2-(4-chlorophenyl)-N-(2-chloro-4-pyridinyl)ethenesulfonamide 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 (E)-2-(4-chlorophenyl)-N-(2-chloro-4-pyridinyl)ethenesulfonamide?
The IUPAC name of (E)-2-(4-chlorophenyl)-N-(2-chloro-4-pyridinyl)ethenesulfonamide (CID 103944087) is (E)-2-(4-chlorophenyl)-N-(2-chloro-4-pyridinyl)ethenesulfonamide.
What is the SMILES notation for (E)-2-(4-chlorophenyl)-N-(2-chloro-4-pyridinyl)ethenesulfonamide?
The canonical SMILES for (E)-2-(4-chlorophenyl)-N-(2-chloro-4-pyridinyl)ethenesulfonamide is O=S(=O)(/C=C/c1ccc(Cl)cc1)Nc1ccnc(Cl)c1.
What is the InChIKey of (E)-2-(4-chlorophenyl)-N-(2-chloro-4-pyridinyl)ethenesulfonamide?
The InChIKey is XPBZWFNYISXTJG-SOFGYWHQSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2S/c14-11-3-1-10(2-4-11)6-8-20(18,19)17-12-5-7-16-13(15)9-12/h1-9H,(H,16,17)/b8-6+.
What are the key properties of (E)-2-(4-chlorophenyl)-N-(2-chloro-4-pyridinyl)ethenesulfonamide?
(E)-2-(4-chlorophenyl)-N-(2-chloro-4-pyridinyl)ethenesulfonamide has a molecular weight of 329.21 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-chlorophenyl)-N-(2-chloro-4-pyridinyl)ethenesulfonamide is sourced from PubChem (CID 103944087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).