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

C15H18ClN3O2S — CID 110725891

IUPAC1-[(2-chlorophenyl)methylsulfonyl]-4-(1H-imidazol-2-yl)piperidine
SMILESO=S(=O)(Cc1ccccc1Cl)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C15H18ClN3O2S/c16-14-4-2-1-3-13(14)11-22(20,21)19-9-5-12(6-10-19)15-17-7-8-18-15/h1-4,7-8,12H,5-6,9-11H2,(H,17,18)
InChIKeyAKHNWKQZUZDMIB-UHFFFAOYSA-N
MW339.85 g/mol
LogP2.77
Rot. Bonds4

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

1-[(2-chlorophenyl)methylsulfonyl]-4-(1H-imidazol-2-yl)piperidine (PubChem CID 110725891) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methylsulfonyl]-4-(1H-imidazol-2-yl)piperidine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methylsulfonyl]-4-(1H-imidazol-2-yl)piperidine
PubChem CID110725891
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name1-[(2-chlorophenyl)methylsulfonyl]-4-(1H-imidazol-2-yl)piperidine
SMILESO=S(=O)(Cc1ccccc1Cl)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C15H18ClN3O2S/c16-14-4-2-1-3-13(14)11-22(20,21)19-9-5-12(6-10-19)15-17-7-8-18-15/h1-4,7-8,12H,5-6,9-11H2,(H,17,18)
InChIKeyAKHNWKQZUZDMIB-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

4-(1H-imidazol-2-yl)-1-[(2-methylphenyl)methylsulfonyl]piperidine
CID 110725887
1-[(4-chlorophenyl)methylsulfonyl]-4-(1H-imidazol-2-yl)piperidine
CID 110725892
1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-amine
CID 119959043
1-[(2-chlorophenyl)methylsulfonyl]-4-pyrrol-1-ylpiperidine
CID 110721356
1-[(2-chlorophenyl)methylsulfonyl]-N,N-dimethylpiperidin-4-amine
CID 110868589
2-[(2-chlorophenyl)methylsulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867919
1-[(2-chlorophenyl)methylsulfonyl]-3-methylpyrrolidine
CID 110749811
[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone
CID 110394038
1-[(2-chlorophenyl)methylsulfonyl]-4,4-dimethylpiperidine
CID 110738679
1-[(2-chlorophenyl)methylsulfonyl]-4-cyclobutyl-1,4-diazepane
CID 131702233
1-[(2-chlorophenyl)methylsulfonyl]-3-methylsulfonylpyrrolidine
CID 72717812
1-(4-tert-butylphenyl)sulfonyl-4-(1H-imidazol-2-yl)piperidine
CID 110725902

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methylsulfonyl]-4-(1H-imidazol-2-yl)piperidine?
The IUPAC name of 1-[(2-chlorophenyl)methylsulfonyl]-4-(1H-imidazol-2-yl)piperidine (CID 110725891) is 1-[(2-chlorophenyl)methylsulfonyl]-4-(1H-imidazol-2-yl)piperidine.
What is the SMILES notation for 1-[(2-chlorophenyl)methylsulfonyl]-4-(1H-imidazol-2-yl)piperidine?
The canonical SMILES for 1-[(2-chlorophenyl)methylsulfonyl]-4-(1H-imidazol-2-yl)piperidine is O=S(=O)(Cc1ccccc1Cl)N1CCC(c2ncc[nH]2)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)methylsulfonyl]-4-(1H-imidazol-2-yl)piperidine?
The InChIKey is AKHNWKQZUZDMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c16-14-4-2-1-3-13(14)11-22(20,21)19-9-5-12(6-10-19)15-17-7-8-18-15/h1-4,7-8,12H,5-6,9-11H2,(H,17,18).
What are the key properties of 1-[(2-chlorophenyl)methylsulfonyl]-4-(1H-imidazol-2-yl)piperidine?
1-[(2-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-[(2-chlorophenyl)methylsulfonyl]-4-(1H-imidazol-2-yl)piperidine is sourced from PubChem (CID 110725891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).