1-[(4-chlorophenyl)methylsulfonyl]-4-(1H-imidazol-2-yl)piperidine

C15H18ClN3O2S — CID 110725892

IUPAC1-[(4-chlorophenyl)methylsulfonyl]-4-(1H-imidazol-2-yl)piperidine
SMILESO=S(=O)(Cc1ccc(Cl)cc1)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C15H18ClN3O2S/c16-14-3-1-12(2-4-14)11-22(20,21)19-9-5-13(6-10-19)15-17-7-8-18-15/h1-4,7-8,13H,5-6,9-11H2,(H,17,18)
InChIKeyMZLGYRYUBXPFJJ-UHFFFAOYSA-N
MW339.85 g/mol
LogP2.77
Rot. Bonds4

About 1-[(4-chlorophenyl)methylsulfonyl]-4-(1H-imidazol-2-yl)piperidine

1-[(4-chlorophenyl)methylsulfonyl]-4-(1H-imidazol-2-yl)piperidine (PubChem CID 110725892) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methylsulfonyl]-4-(1H-imidazol-2-yl)piperidine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methylsulfonyl]-4-(1H-imidazol-2-yl)piperidine
PubChem CID110725892
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name1-[(4-chlorophenyl)methylsulfonyl]-4-(1H-imidazol-2-yl)piperidine
SMILESO=S(=O)(Cc1ccc(Cl)cc1)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C15H18ClN3O2S/c16-14-3-1-12(2-4-14)11-22(20,21)19-9-5-13(6-10-19)15-17-7-8-18-15/h1-4,7-8,13H,5-6,9-11H2,(H,17,18)
InChIKeyMZLGYRYUBXPFJJ-UHFFFAOYSA-N
XLogP2.77
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methylsulfonyl]-4-(1H-imidazol-2-yl)piperidine
CID 110725891
4-(1H-imidazol-2-yl)-1-[(2-methylphenyl)methylsulfonyl]piperidine
CID 110725887
1-[(4-chlorophenyl)methylsulfonyl]-4-(1-ethylimidazol-2-yl)piperidine
CID 72869354
2-[4-[(4-chlorophenyl)methylsulfonyl]piperazin-1-yl]pyrimidine
CID 2738375
1-(4-tert-butylphenyl)sulfonyl-4-(1H-imidazol-2-yl)piperidine
CID 110725902
4-benzylsulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 129000338
2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyrimidine
CID 90558927
1-benzylsulfonyl-4-[(4-chlorophenoxy)methyl]piperidine
CID 110639138
2-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanamine;dihydrochloride
CID 130841205
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(1H-imidazol-2-yl)piperidine
CID 110725900
5-[(4-chlorophenyl)methylsulfonyl]-1,2,5-triazaspiro[2.3]hex-1-ene
CID 138047786
4-[(4-chlorophenyl)methylsulfonyl]-7-phenyl-1,4-thiazepane 1,1-dioxide
CID 121192180

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methylsulfonyl]-4-(1H-imidazol-2-yl)piperidine?
The IUPAC name of 1-[(4-chlorophenyl)methylsulfonyl]-4-(1H-imidazol-2-yl)piperidine (CID 110725892) is 1-[(4-chlorophenyl)methylsulfonyl]-4-(1H-imidazol-2-yl)piperidine.
What is the SMILES notation for 1-[(4-chlorophenyl)methylsulfonyl]-4-(1H-imidazol-2-yl)piperidine?
The canonical SMILES for 1-[(4-chlorophenyl)methylsulfonyl]-4-(1H-imidazol-2-yl)piperidine is O=S(=O)(Cc1ccc(Cl)cc1)N1CCC(c2ncc[nH]2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methylsulfonyl]-4-(1H-imidazol-2-yl)piperidine?
The InChIKey is MZLGYRYUBXPFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c16-14-3-1-12(2-4-14)11-22(20,21)19-9-5-13(6-10-19)15-17-7-8-18-15/h1-4,7-8,13H,5-6,9-11H2,(H,17,18).
What are the key properties of 1-[(4-chlorophenyl)methylsulfonyl]-4-(1H-imidazol-2-yl)piperidine?
1-[(4-chlorophenyl)methylsulfonyl]-4-(1H-imidazol-2-yl)piperidine has a molecular weight of 339.85 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methylsulfonyl]-4-(1H-imidazol-2-yl)piperidine is sourced from PubChem (CID 110725892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).