(4-ethylsulfonylpiperazin-1-yl)-phenylmethanone

C13H18N2O3S — CID 770518

IUPAC(4-ethylsulfonylpiperazin-1-yl)-phenylmethanone
SMILESCCS(=O)(=O)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C13H18N2O3S/c1-2-19(17,18)15-10-8-14(9-11-15)13(16)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
InChIKeyQJZWULZIKSCIRO-UHFFFAOYSA-N
MW282.36 g/mol
LogP0.79
Rot. Bonds3

About (4-ethylsulfonylpiperazin-1-yl)-phenylmethanone

(4-ethylsulfonylpiperazin-1-yl)-phenylmethanone (PubChem CID 770518) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is (4-ethylsulfonylpiperazin-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-ethylsulfonylpiperazin-1-yl)-phenylmethanone
PubChem CID770518
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name(4-ethylsulfonylpiperazin-1-yl)-phenylmethanone
SMILESCCS(=O)(=O)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C13H18N2O3S/c1-2-19(17,18)15-10-8-14(9-11-15)13(16)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
InChIKeyQJZWULZIKSCIRO-UHFFFAOYSA-N
XLogP0.79
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-ethylsulfonylpiperazin-1-yl)-phenylmethanone?
The IUPAC name of (4-ethylsulfonylpiperazin-1-yl)-phenylmethanone (CID 770518) is (4-ethylsulfonylpiperazin-1-yl)-phenylmethanone.
What is the SMILES notation for (4-ethylsulfonylpiperazin-1-yl)-phenylmethanone?
The canonical SMILES for (4-ethylsulfonylpiperazin-1-yl)-phenylmethanone is CCS(=O)(=O)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of (4-ethylsulfonylpiperazin-1-yl)-phenylmethanone?
The InChIKey is QJZWULZIKSCIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-2-19(17,18)15-10-8-14(9-11-15)13(16)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3.
What are the key properties of (4-ethylsulfonylpiperazin-1-yl)-phenylmethanone?
(4-ethylsulfonylpiperazin-1-yl)-phenylmethanone has a molecular weight of 282.36 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylsulfonylpiperazin-1-yl)-phenylmethanone is sourced from PubChem (CID 770518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).