1-(4-ethylsulfonylpiperazin-1-yl)-2,2-diphenylethanone

C20H24N2O3S — CID 1151584

IUPAC1-(4-ethylsulfonylpiperazin-1-yl)-2,2-diphenylethanone
SMILESCCS(=O)(=O)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H24N2O3S/c1-2-26(24,25)22-15-13-21(14-16-22)20(23)19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,2,13-16H2,1H3
InChIKeyRCIJMMSEOSNHSW-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.31
Rot. Bonds5

About 1-(4-ethylsulfonylpiperazin-1-yl)-2,2-diphenylethanone

1-(4-ethylsulfonylpiperazin-1-yl)-2,2-diphenylethanone (PubChem CID 1151584) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-(4-ethylsulfonylpiperazin-1-yl)-2,2-diphenylethanone.

Molecular Properties

Compound Name1-(4-ethylsulfonylpiperazin-1-yl)-2,2-diphenylethanone
PubChem CID1151584
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name1-(4-ethylsulfonylpiperazin-1-yl)-2,2-diphenylethanone
SMILESCCS(=O)(=O)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H24N2O3S/c1-2-26(24,25)22-15-13-21(14-16-22)20(23)19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,2,13-16H2,1H3
InChIKeyRCIJMMSEOSNHSW-UHFFFAOYSA-N
XLogP2.31
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfonylpiperazin-1-yl)-2,2-diphenylethanone?
The IUPAC name of 1-(4-ethylsulfonylpiperazin-1-yl)-2,2-diphenylethanone (CID 1151584) is 1-(4-ethylsulfonylpiperazin-1-yl)-2,2-diphenylethanone.
What is the SMILES notation for 1-(4-ethylsulfonylpiperazin-1-yl)-2,2-diphenylethanone?
The canonical SMILES for 1-(4-ethylsulfonylpiperazin-1-yl)-2,2-diphenylethanone is CCS(=O)(=O)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(4-ethylsulfonylpiperazin-1-yl)-2,2-diphenylethanone?
The InChIKey is RCIJMMSEOSNHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-2-26(24,25)22-15-13-21(14-16-22)20(23)19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19H,2,13-16H2,1H3.
What are the key properties of 1-(4-ethylsulfonylpiperazin-1-yl)-2,2-diphenylethanone?
1-(4-ethylsulfonylpiperazin-1-yl)-2,2-diphenylethanone has a molecular weight of 372.49 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfonylpiperazin-1-yl)-2,2-diphenylethanone is sourced from PubChem (CID 1151584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).