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

C15H18ClN3O2S — CID 155756446

IUPAC4-(2-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-3,6-dihydro-2H-pyridine
SMILESCN1C=CN(S(=O)(=O)N2CC=C(c3ccccc3Cl)CC2)C1
InChIInChI=1S/C15H18ClN3O2S/c1-17-10-11-19(12-17)22(20,21)18-8-6-13(7-9-18)14-4-2-3-5-15(14)16/h2-6,10-11H,7-9,12H2,1H3
InChIKeyQVYWHXQDIRMPIQ-UHFFFAOYSA-N
MW339.85 g/mol
LogP2.35
Rot. Bonds3

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

4-(2-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-3,6-dihydro-2H-pyridine (PubChem CID 155756446) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-3,6-dihydro-2H-pyridine
PubChem CID155756446
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name4-(2-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-3,6-dihydro-2H-pyridine
SMILESCN1C=CN(S(=O)(=O)N2CC=C(c3ccccc3Cl)CC2)C1
InChIInChI=1S/C15H18ClN3O2S/c1-17-10-11-19(12-17)22(20,21)18-8-6-13(7-9-18)14-4-2-3-5-15(14)16/h2-6,10-11H,7-9,12H2,1H3
InChIKeyQVYWHXQDIRMPIQ-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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(2-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-3,6-dihydro-2H-pyridine (CID 155756446) is 4-(2-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(2-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(2-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-3,6-dihydro-2H-pyridine is CN1C=CN(S(=O)(=O)N2CC=C(c3ccccc3Cl)CC2)C1.
What is the InChIKey of 4-(2-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-3,6-dihydro-2H-pyridine?
The InChIKey is QVYWHXQDIRMPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-17-10-11-19(12-17)22(20,21)18-8-6-13(7-9-18)14-4-2-3-5-15(14)16/h2-6,10-11H,7-9,12H2,1H3.
What are the key properties of 4-(2-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-3,6-dihydro-2H-pyridine?
4-(2-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-(2-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 155756446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).