4-(4-ethoxyphenyl)sulfonyl-1-methylpiperazin-2-one

C13H18N2O4S — CID 110708179

IUPAC4-(4-ethoxyphenyl)sulfonyl-1-methylpiperazin-2-one
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C)C(=O)C2)cc1
InChIInChI=1S/C13H18N2O4S/c1-3-19-11-4-6-12(7-5-11)20(17,18)15-9-8-14(2)13(16)10-15/h4-7H,3,8-10H2,1-2H3
InChIKeyPBHHWJROIQGBPO-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.55
Rot. Bonds4

About 4-(4-ethoxyphenyl)sulfonyl-1-methylpiperazin-2-one

4-(4-ethoxyphenyl)sulfonyl-1-methylpiperazin-2-one (PubChem CID 110708179) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)sulfonyl-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)sulfonyl-1-methylpiperazin-2-one
PubChem CID110708179
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name4-(4-ethoxyphenyl)sulfonyl-1-methylpiperazin-2-one
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C)C(=O)C2)cc1
InChIInChI=1S/C13H18N2O4S/c1-3-19-11-4-6-12(7-5-11)20(17,18)15-9-8-14(2)13(16)10-15/h4-7H,3,8-10H2,1-2H3
InChIKeyPBHHWJROIQGBPO-UHFFFAOYSA-N
XLogP0.55
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)sulfonyl-1-methylpiperazin-2-one
CID 110708129
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 2448017
1-tert-butyl-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 113074890
1-(2-chlorophenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 2525429
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 78780224
1-(4-ethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 106672603
3-(4-ethoxyphenyl)sulfonyl-1,3-oxazolidine
CID 110740101
1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1306330
(4-ethoxyphenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 9496560
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585227
(3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidine-3-thiol
CID 88954947
1-[4-(4-ethoxyphenoxy)phenyl]sulfonylpiperazine
CID 4738891

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)sulfonyl-1-methylpiperazin-2-one?
The IUPAC name of 4-(4-ethoxyphenyl)sulfonyl-1-methylpiperazin-2-one (CID 110708179) is 4-(4-ethoxyphenyl)sulfonyl-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(4-ethoxyphenyl)sulfonyl-1-methylpiperazin-2-one?
The canonical SMILES for 4-(4-ethoxyphenyl)sulfonyl-1-methylpiperazin-2-one is CCOc1ccc(S(=O)(=O)N2CCN(C)C(=O)C2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)sulfonyl-1-methylpiperazin-2-one?
The InChIKey is PBHHWJROIQGBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-3-19-11-4-6-12(7-5-11)20(17,18)15-9-8-14(2)13(16)10-15/h4-7H,3,8-10H2,1-2H3.
What are the key properties of 4-(4-ethoxyphenyl)sulfonyl-1-methylpiperazin-2-one?
4-(4-ethoxyphenyl)sulfonyl-1-methylpiperazin-2-one has a molecular weight of 298.36 g/mol, XLogP of 0.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)sulfonyl-1-methylpiperazin-2-one is sourced from PubChem (CID 110708179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).