1-(benzenesulfonyl)-4-[2-(4-phenylphenyl)ethyl]piperidine

C25H27NO2S — CID 46086776

IUPAC1-(benzenesulfonyl)-4-[2-(4-phenylphenyl)ethyl]piperidine
SMILESO=S(=O)(c1ccccc1)N1CCC(CCc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C25H27NO2S/c27-29(28,25-9-5-2-6-10-25)26-19-17-22(18-20-26)12-11-21-13-15-24(16-14-21)23-7-3-1-4-8-23/h1-10,13-16,22H,11-12,17-20H2
InChIKeyUHRFXHXETUEVGM-UHFFFAOYSA-N
MW405.56 g/mol
LogP5.39
Rot. Bonds6

About 1-(benzenesulfonyl)-4-[2-(4-phenylphenyl)ethyl]piperidine

1-(benzenesulfonyl)-4-[2-(4-phenylphenyl)ethyl]piperidine (PubChem CID 46086776) has the molecular formula C25H27NO2S and a molecular weight of 405.56 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-[2-(4-phenylphenyl)ethyl]piperidine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-[2-(4-phenylphenyl)ethyl]piperidine
PubChem CID46086776
Molecular FormulaC25H27NO2S
Molecular Weight405.56 g/mol
Exact Mass405.18
IUPAC Name1-(benzenesulfonyl)-4-[2-(4-phenylphenyl)ethyl]piperidine
SMILESO=S(=O)(c1ccccc1)N1CCC(CCc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C25H27NO2S/c27-29(28,25-9-5-2-6-10-25)26-19-17-22(18-20-26)12-11-21-13-15-24(16-14-21)23-7-3-1-4-8-23/h1-10,13-16,22H,11-12,17-20H2
InChIKeyUHRFXHXETUEVGM-UHFFFAOYSA-N
XLogP5.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.56
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylphenyl)sulfonyl-4-[2-(4-phenylphenyl)ethyl]piperidine
CID 46087013
1-(benzenesulfonyl)piperidin-4-amine;hydrochloride
CID 53433554
4-(benzenesulfonyl)-1-(4-propylphenyl)sulfonylpiperidine
CID 90589463
1-(benzenesulfonyl)-4-[1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]piperazine
CID 11712336
1-(benzenesulfonyl)-4-(methoxymethyl)piperidine
CID 63999066
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
1-(4-phenylphenyl)sulfonylpyrrolidine-3-thiol
CID 18440981
4-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine
CID 46086767
1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]sulfonylazepane
CID 52552627
N-[[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]methyl]-2-phenylethanamine
CID 11315184
1-(4-methylphenyl)sulfonyl-4-(3-phenylmethoxypropyl)piperidine
CID 162402953
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-N-ethylethanamine
CID 64586716

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-[2-(4-phenylphenyl)ethyl]piperidine?
The IUPAC name of 1-(benzenesulfonyl)-4-[2-(4-phenylphenyl)ethyl]piperidine (CID 46086776) is 1-(benzenesulfonyl)-4-[2-(4-phenylphenyl)ethyl]piperidine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-[2-(4-phenylphenyl)ethyl]piperidine?
The canonical SMILES for 1-(benzenesulfonyl)-4-[2-(4-phenylphenyl)ethyl]piperidine is O=S(=O)(c1ccccc1)N1CCC(CCc2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-[2-(4-phenylphenyl)ethyl]piperidine?
The InChIKey is UHRFXHXETUEVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO2S/c27-29(28,25-9-5-2-6-10-25)26-19-17-22(18-20-26)12-11-21-13-15-24(16-14-21)23-7-3-1-4-8-23/h1-10,13-16,22H,11-12,17-20H2.
What are the key properties of 1-(benzenesulfonyl)-4-[2-(4-phenylphenyl)ethyl]piperidine?
1-(benzenesulfonyl)-4-[2-(4-phenylphenyl)ethyl]piperidine has a molecular weight of 405.56 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-[2-(4-phenylphenyl)ethyl]piperidine is sourced from PubChem (CID 46086776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).