4-(2-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]piperidine

C15H20ClN3O2S — CID 155756477

IUPAC4-(2-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]piperidine
SMILESCN1C=CN(S(=O)(=O)N2CCC(c3ccccc3Cl)CC2)C1
InChIInChI=1S/C15H20ClN3O2S/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/h2-5,10-11,13H,6-9,12H2,1H3
InChIKeyZYANMLKPILFJSN-UHFFFAOYSA-N
MW341.86 g/mol
LogP2.44
Rot. Bonds3

About 4-(2-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]piperidine

4-(2-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]piperidine (PubChem CID 155756477) has the molecular formula C15H20ClN3O2S and a molecular weight of 341.86 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]piperidine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]piperidine
PubChem CID155756477
Molecular FormulaC15H20ClN3O2S
Molecular Weight341.86 g/mol
Exact Mass341.10
IUPAC Name4-(2-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]piperidine
SMILESCN1C=CN(S(=O)(=O)N2CCC(c3ccccc3Cl)CC2)C1
InChIInChI=1S/C15H20ClN3O2S/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/h2-5,10-11,13H,6-9,12H2,1H3
InChIKeyZYANMLKPILFJSN-UHFFFAOYSA-N
XLogP2.44
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 52.44
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]piperidine?
The IUPAC name of 4-(2-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]piperidine (CID 155756477) is 4-(2-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]piperidine.
What is the SMILES notation for 4-(2-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]piperidine?
The canonical SMILES for 4-(2-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]piperidine is CN1C=CN(S(=O)(=O)N2CCC(c3ccccc3Cl)CC2)C1.
What is the InChIKey of 4-(2-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]piperidine?
The InChIKey is ZYANMLKPILFJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2S/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/h2-5,10-11,13H,6-9,12H2,1H3.
What are the key properties of 4-(2-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]piperidine?
4-(2-chlorophenyl)-1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]piperidine has a molecular weight of 341.86 g/mol, XLogP of 2.44, 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]piperidine is sourced from PubChem (CID 155756477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).