4-(benzenesulfonyl)-1-(4-ethylphenyl)-3-methylpiperazin-2-one

C19H22N2O3S — CID 46036630

IUPAC4-(benzenesulfonyl)-1-(4-ethylphenyl)-3-methylpiperazin-2-one
SMILESCCc1ccc(N2CCN(S(=O)(=O)c3ccccc3)C(C)C2=O)cc1
InChIInChI=1S/C19H22N2O3S/c1-3-16-9-11-17(12-10-16)20-13-14-21(15(2)19(20)22)25(23,24)18-7-5-4-6-8-18/h4-12,15H,3,13-14H2,1-2H3
InChIKeyAPZCAYYACZRYDA-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.67
Rot. Bonds4

About 4-(benzenesulfonyl)-1-(4-ethylphenyl)-3-methylpiperazin-2-one

4-(benzenesulfonyl)-1-(4-ethylphenyl)-3-methylpiperazin-2-one (PubChem CID 46036630) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-1-(4-ethylphenyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(benzenesulfonyl)-1-(4-ethylphenyl)-3-methylpiperazin-2-one
PubChem CID46036630
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name4-(benzenesulfonyl)-1-(4-ethylphenyl)-3-methylpiperazin-2-one
SMILESCCc1ccc(N2CCN(S(=O)(=O)c3ccccc3)C(C)C2=O)cc1
InChIInChI=1S/C19H22N2O3S/c1-3-16-9-11-17(12-10-16)20-13-14-21(15(2)19(20)22)25(23,24)18-7-5-4-6-8-18/h4-12,15H,3,13-14H2,1-2H3
InChIKeyAPZCAYYACZRYDA-UHFFFAOYSA-N
XLogP2.67
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-1-(4-ethylphenyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(benzenesulfonyl)-1-(4-ethylphenyl)-3-methylpiperazin-2-one (CID 46036630) is 4-(benzenesulfonyl)-1-(4-ethylphenyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(benzenesulfonyl)-1-(4-ethylphenyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(benzenesulfonyl)-1-(4-ethylphenyl)-3-methylpiperazin-2-one is CCc1ccc(N2CCN(S(=O)(=O)c3ccccc3)C(C)C2=O)cc1.
What is the InChIKey of 4-(benzenesulfonyl)-1-(4-ethylphenyl)-3-methylpiperazin-2-one?
The InChIKey is APZCAYYACZRYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-3-16-9-11-17(12-10-16)20-13-14-21(15(2)19(20)22)25(23,24)18-7-5-4-6-8-18/h4-12,15H,3,13-14H2,1-2H3.
What are the key properties of 4-(benzenesulfonyl)-1-(4-ethylphenyl)-3-methylpiperazin-2-one?
4-(benzenesulfonyl)-1-(4-ethylphenyl)-3-methylpiperazin-2-one has a molecular weight of 358.46 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-1-(4-ethylphenyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 46036630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).