1-(2,4,5-trichlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine

C11H10Cl3NO2S — CID 2807165

IUPAC1-(2,4,5-trichlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine
SMILESO=S(=O)(c1cc(Cl)c(Cl)cc1Cl)N1CC=CCC1
InChIInChI=1S/C11H10Cl3NO2S/c12-8-6-10(14)11(7-9(8)13)18(16,17)15-4-2-1-3-5-15/h1-2,6-7H,3-5H2
InChIKeyVZMLPZUKGUNZEM-UHFFFAOYSA-N
MW326.63 g/mol
LogP3.60
Rot. Bonds2

About 1-(2,4,5-trichlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine

1-(2,4,5-trichlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine (PubChem CID 2807165) has the molecular formula C11H10Cl3NO2S and a molecular weight of 326.63 g/mol. Its IUPAC name is 1-(2,4,5-trichlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(2,4,5-trichlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine
PubChem CID2807165
Molecular FormulaC11H10Cl3NO2S
Molecular Weight326.63 g/mol
Exact Mass324.95
IUPAC Name1-(2,4,5-trichlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine
SMILESO=S(=O)(c1cc(Cl)c(Cl)cc1Cl)N1CC=CCC1
InChIInChI=1S/C11H10Cl3NO2S/c12-8-6-10(14)11(7-9(8)13)18(16,17)15-4-2-1-3-5-15/h1-2,6-7H,3-5H2
InChIKeyVZMLPZUKGUNZEM-UHFFFAOYSA-N
XLogP3.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.63
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(2,4,5-trichlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine 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 1-(2,4,5-trichlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(2,4,5-trichlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine (CID 2807165) is 1-(2,4,5-trichlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(2,4,5-trichlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(2,4,5-trichlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine is O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)N1CC=CCC1.
What is the InChIKey of 1-(2,4,5-trichlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine?
The InChIKey is VZMLPZUKGUNZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl3NO2S/c12-8-6-10(14)11(7-9(8)13)18(16,17)15-4-2-1-3-5-15/h1-2,6-7H,3-5H2.
What are the key properties of 1-(2,4,5-trichlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine?
1-(2,4,5-trichlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine has a molecular weight of 326.63 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,5-trichlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 2807165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).