4-(3-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-3,6-dihydro-2H-pyridine

C15H18ClN3O2S — CID 155756445

IUPAC4-(3-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-3,6-dihydro-2H-pyridine
SMILESCN1C=CN(S(=O)(=O)N2CC=C(c3cccc(Cl)c3)CC2)C1
InChIInChI=1S/C15H18ClN3O2S/c1-17-9-10-19(12-17)22(20,21)18-7-5-13(6-8-18)14-3-2-4-15(16)11-14/h2-5,9-11H,6-8,12H2,1H3
InChIKeyVFLYWJONGXTKHD-UHFFFAOYSA-N
MW339.85 g/mol
LogP2.35
Rot. Bonds3

About 4-(3-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-3,6-dihydro-2H-pyridine

4-(3-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-3,6-dihydro-2H-pyridine (PubChem CID 155756445) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-3,6-dihydro-2H-pyridine
PubChem CID155756445
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name4-(3-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-3,6-dihydro-2H-pyridine
SMILESCN1C=CN(S(=O)(=O)N2CC=C(c3cccc(Cl)c3)CC2)C1
InChIInChI=1S/C15H18ClN3O2S/c1-17-9-10-19(12-17)22(20,21)18-7-5-13(6-8-18)14-3-2-4-15(16)11-14/h2-5,9-11H,6-8,12H2,1H3
InChIKeyVFLYWJONGXTKHD-UHFFFAOYSA-N
XLogP2.35
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(3-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)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 4-(3-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(3-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-3,6-dihydro-2H-pyridine (CID 155756445) is 4-(3-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(3-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(3-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-3,6-dihydro-2H-pyridine is CN1C=CN(S(=O)(=O)N2CC=C(c3cccc(Cl)c3)CC2)C1.
What is the InChIKey of 4-(3-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-3,6-dihydro-2H-pyridine?
The InChIKey is VFLYWJONGXTKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-17-9-10-19(12-17)22(20,21)18-7-5-13(6-8-18)14-3-2-4-15(16)11-14/h2-5,9-11H,6-8,12H2,1H3.
What are the key properties of 4-(3-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-3,6-dihydro-2H-pyridine?
4-(3-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-3,6-dihydro-2H-pyridine has a molecular weight of 339.85 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 155756445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).