1-[2-(4-chlorophenyl)sulfonylethyl]-4-phenylmethoxypiperidine

C20H24ClNO3S — CID 55470186

IUPAC1-[2-(4-chlorophenyl)sulfonylethyl]-4-phenylmethoxypiperidine
SMILESO=S(=O)(CCN1CCC(OCc2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClNO3S/c21-18-6-8-20(9-7-18)26(23,24)15-14-22-12-10-19(11-13-22)25-16-17-4-2-1-3-5-17/h1-9,19H,10-16H2
InChIKeyCSPUGLMTJLTVFM-UHFFFAOYSA-N
MW393.94 g/mol
LogP3.79
Rot. Bonds7

About 1-[2-(4-chlorophenyl)sulfonylethyl]-4-phenylmethoxypiperidine

1-[2-(4-chlorophenyl)sulfonylethyl]-4-phenylmethoxypiperidine (PubChem CID 55470186) has the molecular formula C20H24ClNO3S and a molecular weight of 393.94 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)sulfonylethyl]-4-phenylmethoxypiperidine.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)sulfonylethyl]-4-phenylmethoxypiperidine
PubChem CID55470186
Molecular FormulaC20H24ClNO3S
Molecular Weight393.94 g/mol
Exact Mass393.12
IUPAC Name1-[2-(4-chlorophenyl)sulfonylethyl]-4-phenylmethoxypiperidine
SMILESO=S(=O)(CCN1CCC(OCc2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClNO3S/c21-18-6-8-20(9-7-18)26(23,24)15-14-22-12-10-19(11-13-22)25-16-17-4-2-1-3-5-17/h1-9,19H,10-16H2
InChIKeyCSPUGLMTJLTVFM-UHFFFAOYSA-N
XLogP3.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)sulfonylethyl]-4-phenylmethoxypiperidine?
The IUPAC name of 1-[2-(4-chlorophenyl)sulfonylethyl]-4-phenylmethoxypiperidine (CID 55470186) is 1-[2-(4-chlorophenyl)sulfonylethyl]-4-phenylmethoxypiperidine.
What is the SMILES notation for 1-[2-(4-chlorophenyl)sulfonylethyl]-4-phenylmethoxypiperidine?
The canonical SMILES for 1-[2-(4-chlorophenyl)sulfonylethyl]-4-phenylmethoxypiperidine is O=S(=O)(CCN1CCC(OCc2ccccc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)sulfonylethyl]-4-phenylmethoxypiperidine?
The InChIKey is CSPUGLMTJLTVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO3S/c21-18-6-8-20(9-7-18)26(23,24)15-14-22-12-10-19(11-13-22)25-16-17-4-2-1-3-5-17/h1-9,19H,10-16H2.
What are the key properties of 1-[2-(4-chlorophenyl)sulfonylethyl]-4-phenylmethoxypiperidine?
1-[2-(4-chlorophenyl)sulfonylethyl]-4-phenylmethoxypiperidine has a molecular weight of 393.94 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)sulfonylethyl]-4-phenylmethoxypiperidine is sourced from PubChem (CID 55470186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).