4-ethylsulfonyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine

C20H25NO4S2 — CID 3030557

IUPAC4-ethylsulfonyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine
SMILESCCS(=O)(=O)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C20H25NO4S2/c1-3-26(22,23)20(18-7-5-4-6-8-18)13-15-21(16-14-20)27(24,25)19-11-9-17(2)10-12-19/h4-12H,3,13-16H2,1-2H3
InChIKeySKTZOKZEUKAJKE-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.11
Rot. Bonds5

About 4-ethylsulfonyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine

4-ethylsulfonyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine (PubChem CID 3030557) has the molecular formula C20H25NO4S2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 4-ethylsulfonyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine.

Molecular Properties

Compound Name4-ethylsulfonyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine
PubChem CID3030557
Molecular FormulaC20H25NO4S2
Molecular Weight407.56 g/mol
Exact Mass407.12
IUPAC Name4-ethylsulfonyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine
SMILESCCS(=O)(=O)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C20H25NO4S2/c1-3-26(22,23)20(18-7-5-4-6-8-18)13-15-21(16-14-20)27(24,25)19-11-9-17(2)10-12-19/h4-12H,3,13-16H2,1-2H3
InChIKeySKTZOKZEUKAJKE-UHFFFAOYSA-N
XLogP3.11
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)sulfonyl-4-phenyl-4-(1-phenylethenyl)piperidine
CID 25147241
1-ethylsulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 719622
4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol
CID 81103611
1-ethyl-1'-(4-methylphenyl)sulfonylspiro[indole-3,4'-piperidine]-2-one
CID 91904617
[1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidin-3-yl]-phenylmethanone
CID 102402865
1-ethyl-4-(4-phenylphenyl)sulfonylpiperazine
CID 110757634
4-(4-methylphenyl)sulfonylthiomorpholine
CID 4068383
1-(benzenesulfonyl)-4,4-dimethylpiperidine
CID 58376409
3-methyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine-4-carbonyl chloride
CID 74935523
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
1-benzyl-4-(4-methylphenyl)sulfonylpiperazin-1-ium chloride
CID 18532110
[(4S)-4-hydroxy-1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-3-yl]-phenylmethanone
CID 135019799

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine?
The IUPAC name of 4-ethylsulfonyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine (CID 3030557) is 4-ethylsulfonyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine.
What is the SMILES notation for 4-ethylsulfonyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine?
The canonical SMILES for 4-ethylsulfonyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine is CCS(=O)(=O)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of 4-ethylsulfonyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine?
The InChIKey is SKTZOKZEUKAJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S2/c1-3-26(22,23)20(18-7-5-4-6-8-18)13-15-21(16-14-20)27(24,25)19-11-9-17(2)10-12-19/h4-12H,3,13-16H2,1-2H3.
What are the key properties of 4-ethylsulfonyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine?
4-ethylsulfonyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine has a molecular weight of 407.56 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine is sourced from PubChem (CID 3030557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).