1-(4-methylphenyl)sulfonyl-4-phenyl-4-(1-phenylethenyl)piperidine

C26H27NO2S — CID 25147241

IUPAC1-(4-methylphenyl)sulfonyl-4-phenyl-4-(1-phenylethenyl)piperidine
SMILESC=C(c1ccccc1)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C26H27NO2S/c1-21-13-15-25(16-14-21)30(28,29)27-19-17-26(18-20-27,24-11-7-4-8-12-24)22(2)23-9-5-3-6-10-23/h3-16H,2,17-20H2,1H3
InChIKeyXTJUVMIEDRYGAB-UHFFFAOYSA-N
MW417.57 g/mol
LogP5.43
Rot. Bonds5

About 1-(4-methylphenyl)sulfonyl-4-phenyl-4-(1-phenylethenyl)piperidine

1-(4-methylphenyl)sulfonyl-4-phenyl-4-(1-phenylethenyl)piperidine (PubChem CID 25147241) has the molecular formula C26H27NO2S and a molecular weight of 417.57 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-4-phenyl-4-(1-phenylethenyl)piperidine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-4-phenyl-4-(1-phenylethenyl)piperidine
PubChem CID25147241
Molecular FormulaC26H27NO2S
Molecular Weight417.57 g/mol
Exact Mass417.18
IUPAC Name1-(4-methylphenyl)sulfonyl-4-phenyl-4-(1-phenylethenyl)piperidine
SMILESC=C(c1ccccc1)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C26H27NO2S/c1-21-13-15-25(16-14-21)30(28,29)27-19-17-26(18-20-27,24-11-7-4-8-12-24)22(2)23-9-5-3-6-10-23/h3-16H,2,17-20H2,1H3
InChIKeyXTJUVMIEDRYGAB-UHFFFAOYSA-N
XLogP5.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.57
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidin-3-yl]-phenylmethanone
CID 102402865
4-ethylsulfonyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine
CID 3030557
[(4S)-4-hydroxy-1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-3-yl]-phenylmethanone
CID 135019799
4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol
CID 81103611
4-benzhydrylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 25147239
4-(3-chloro-2-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxylic acid
CID 20511849
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-phenylphenyl)methanone
CID 1147933
3-methyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine-4-carbonyl chloride
CID 74935523
1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidine-4-carbonyl chloride
CID 20511834
(3R,4R)-1-(4-methylphenyl)sulfonyl-3-(1-phenylethenyl)piperidin-4-ol
CID 177395494
1-[4-(4-methylphenyl)phenyl]sulfonylazepane
CID 852205
4-cyclopropylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 121187247

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-4-phenyl-4-(1-phenylethenyl)piperidine?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-4-phenyl-4-(1-phenylethenyl)piperidine (CID 25147241) is 1-(4-methylphenyl)sulfonyl-4-phenyl-4-(1-phenylethenyl)piperidine.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-4-phenyl-4-(1-phenylethenyl)piperidine?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-4-phenyl-4-(1-phenylethenyl)piperidine is C=C(c1ccccc1)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-4-phenyl-4-(1-phenylethenyl)piperidine?
The InChIKey is XTJUVMIEDRYGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO2S/c1-21-13-15-25(16-14-21)30(28,29)27-19-17-26(18-20-27,24-11-7-4-8-12-24)22(2)23-9-5-3-6-10-23/h3-16H,2,17-20H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-4-phenyl-4-(1-phenylethenyl)piperidine?
1-(4-methylphenyl)sulfonyl-4-phenyl-4-(1-phenylethenyl)piperidine has a molecular weight of 417.57 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-4-phenyl-4-(1-phenylethenyl)piperidine is sourced from PubChem (CID 25147241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).