2-(benzenesulfonyl)-1-(4-benzylpiperidin-1-yl)ethanone

C20H23NO3S — CID 7356961

IUPAC2-(benzenesulfonyl)-1-(4-benzylpiperidin-1-yl)ethanone
SMILESO=C(CS(=O)(=O)c1ccccc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H23NO3S/c22-20(16-25(23,24)19-9-5-2-6-10-19)21-13-11-18(12-14-21)15-17-7-3-1-4-8-17/h1-10,18H,11-16H2
InChIKeyNFTGQXBFVBBTGZ-UHFFFAOYSA-N
MW357.47 g/mol
LogP2.94
Rot. Bonds5

About 2-(benzenesulfonyl)-1-(4-benzylpiperidin-1-yl)ethanone

2-(benzenesulfonyl)-1-(4-benzylpiperidin-1-yl)ethanone (PubChem CID 7356961) has the molecular formula C20H23NO3S and a molecular weight of 357.47 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-(4-benzylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-(4-benzylpiperidin-1-yl)ethanone
PubChem CID7356961
Molecular FormulaC20H23NO3S
Molecular Weight357.47 g/mol
Exact Mass357.14
IUPAC Name2-(benzenesulfonyl)-1-(4-benzylpiperidin-1-yl)ethanone
SMILESO=C(CS(=O)(=O)c1ccccc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H23NO3S/c22-20(16-25(23,24)19-9-5-2-6-10-19)21-13-11-18(12-14-21)15-17-7-3-1-4-8-17/h1-10,18H,11-16H2
InChIKeyNFTGQXBFVBBTGZ-UHFFFAOYSA-N
XLogP2.94
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-(4-benzylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(benzenesulfonyl)-1-(4-benzylpiperidin-1-yl)ethanone (CID 7356961) is 2-(benzenesulfonyl)-1-(4-benzylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(benzenesulfonyl)-1-(4-benzylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(benzenesulfonyl)-1-(4-benzylpiperidin-1-yl)ethanone is O=C(CS(=O)(=O)c1ccccc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 2-(benzenesulfonyl)-1-(4-benzylpiperidin-1-yl)ethanone?
The InChIKey is NFTGQXBFVBBTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3S/c22-20(16-25(23,24)19-9-5-2-6-10-19)21-13-11-18(12-14-21)15-17-7-3-1-4-8-17/h1-10,18H,11-16H2.
What are the key properties of 2-(benzenesulfonyl)-1-(4-benzylpiperidin-1-yl)ethanone?
2-(benzenesulfonyl)-1-(4-benzylpiperidin-1-yl)ethanone has a molecular weight of 357.47 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-(4-benzylpiperidin-1-yl)ethanone is sourced from PubChem (CID 7356961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).