1-benzyl-4-(4-ethoxyphenyl)sulfonylpiperazine

C19H24N2O3S — CID 1076569

IUPAC1-benzyl-4-(4-ethoxyphenyl)sulfonylpiperazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H24N2O3S/c1-2-24-18-8-10-19(11-9-18)25(22,23)21-14-12-20(13-15-21)16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3
InChIKeyQKMNGBOIEMAXIZ-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.59
Rot. Bonds6

About 1-benzyl-4-(4-ethoxyphenyl)sulfonylpiperazine

1-benzyl-4-(4-ethoxyphenyl)sulfonylpiperazine (PubChem CID 1076569) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-benzyl-4-(4-ethoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-benzyl-4-(4-ethoxyphenyl)sulfonylpiperazine
PubChem CID1076569
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name1-benzyl-4-(4-ethoxyphenyl)sulfonylpiperazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H24N2O3S/c1-2-24-18-8-10-19(11-9-18)25(22,23)21-14-12-20(13-15-21)16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3
InChIKeyQKMNGBOIEMAXIZ-UHFFFAOYSA-N
XLogP2.59
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-ethoxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-benzyl-4-(4-ethoxyphenyl)sulfonylpiperazine (CID 1076569) is 1-benzyl-4-(4-ethoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-benzyl-4-(4-ethoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-benzyl-4-(4-ethoxyphenyl)sulfonylpiperazine is CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-(4-ethoxyphenyl)sulfonylpiperazine?
The InChIKey is QKMNGBOIEMAXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-2-24-18-8-10-19(11-9-18)25(22,23)21-14-12-20(13-15-21)16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3.
What are the key properties of 1-benzyl-4-(4-ethoxyphenyl)sulfonylpiperazine?
1-benzyl-4-(4-ethoxyphenyl)sulfonylpiperazine has a molecular weight of 360.48 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-ethoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 1076569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).