1-benzyl-4-(4-ethoxynaphthalen-1-yl)sulfonylpiperazine

C23H26N2O3S — CID 1075090

IUPAC1-benzyl-4-(4-ethoxynaphthalen-1-yl)sulfonylpiperazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc12
InChIInChI=1S/C23H26N2O3S/c1-2-28-22-12-13-23(21-11-7-6-10-20(21)22)29(26,27)25-16-14-24(15-17-25)18-19-8-4-3-5-9-19/h3-13H,2,14-18H2,1H3
InChIKeyNAEXLICUXPUTJS-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.74
Rot. Bonds6

About 1-benzyl-4-(4-ethoxynaphthalen-1-yl)sulfonylpiperazine

1-benzyl-4-(4-ethoxynaphthalen-1-yl)sulfonylpiperazine (PubChem CID 1075090) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is 1-benzyl-4-(4-ethoxynaphthalen-1-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-benzyl-4-(4-ethoxynaphthalen-1-yl)sulfonylpiperazine
PubChem CID1075090
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC Name1-benzyl-4-(4-ethoxynaphthalen-1-yl)sulfonylpiperazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc12
InChIInChI=1S/C23H26N2O3S/c1-2-28-22-12-13-23(21-11-7-6-10-20(21)22)29(26,27)25-16-14-24(15-17-25)18-19-8-4-3-5-9-19/h3-13H,2,14-18H2,1H3
InChIKeyNAEXLICUXPUTJS-UHFFFAOYSA-N
XLogP3.74
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.74
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-ethoxynaphthalen-1-yl)sulfonylpiperazine?
The IUPAC name of 1-benzyl-4-(4-ethoxynaphthalen-1-yl)sulfonylpiperazine (CID 1075090) is 1-benzyl-4-(4-ethoxynaphthalen-1-yl)sulfonylpiperazine.
What is the SMILES notation for 1-benzyl-4-(4-ethoxynaphthalen-1-yl)sulfonylpiperazine?
The canonical SMILES for 1-benzyl-4-(4-ethoxynaphthalen-1-yl)sulfonylpiperazine is CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc12.
What is the InChIKey of 1-benzyl-4-(4-ethoxynaphthalen-1-yl)sulfonylpiperazine?
The InChIKey is NAEXLICUXPUTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-2-28-22-12-13-23(21-11-7-6-10-20(21)22)29(26,27)25-16-14-24(15-17-25)18-19-8-4-3-5-9-19/h3-13H,2,14-18H2,1H3.
What are the key properties of 1-benzyl-4-(4-ethoxynaphthalen-1-yl)sulfonylpiperazine?
1-benzyl-4-(4-ethoxynaphthalen-1-yl)sulfonylpiperazine has a molecular weight of 410.54 g/mol, XLogP of 3.74, 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-ethoxynaphthalen-1-yl)sulfonylpiperazine is sourced from PubChem (CID 1075090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).