1-benzyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine

C19H24N2O4S — CID 1106577

IUPAC1-benzyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C19H24N2O4S/c1-24-17-8-9-18(25-2)19(14-17)26(22,23)21-12-10-20(11-13-21)15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3
InChIKeyFUJCDSZTDSDGBB-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.21
Rot. Bonds6

About 1-benzyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine

1-benzyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine (PubChem CID 1106577) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-benzyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-benzyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
PubChem CID1106577
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name1-benzyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C19H24N2O4S/c1-24-17-8-9-18(25-2)19(14-17)26(22,23)21-12-10-20(11-13-21)15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3
InChIKeyFUJCDSZTDSDGBB-UHFFFAOYSA-N
XLogP2.21
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-benzyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine (CID 1106577) is 1-benzyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-benzyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-benzyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine is COc1ccc(OC)c(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 1-benzyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine?
The InChIKey is FUJCDSZTDSDGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-24-17-8-9-18(25-2)19(14-17)26(22,23)21-12-10-20(11-13-21)15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of 1-benzyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine?
1-benzyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine has a molecular weight of 376.48 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 1106577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).