1-benzyl-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine

C20H26N2O3S — CID 2293923

IUPAC1-benzyl-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H26N2O3S/c1-16-13-19(25-3)20(14-17(16)2)26(23,24)22-11-9-21(10-12-22)15-18-7-5-4-6-8-18/h4-8,13-14H,9-12,15H2,1-3H3
InChIKeyAGGWNFLVAPHRRO-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.82
Rot. Bonds5

About 1-benzyl-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine

1-benzyl-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine (PubChem CID 2293923) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 1-benzyl-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-benzyl-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine
PubChem CID2293923
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name1-benzyl-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H26N2O3S/c1-16-13-19(25-3)20(14-17(16)2)26(23,24)22-11-9-21(10-12-22)15-18-7-5-4-6-8-18/h4-8,13-14H,9-12,15H2,1-3H3
InChIKeyAGGWNFLVAPHRRO-UHFFFAOYSA-N
XLogP2.82
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-benzyl-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine (CID 2293923) is 1-benzyl-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-benzyl-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-benzyl-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine is COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine?
The InChIKey is AGGWNFLVAPHRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-16-13-19(25-3)20(14-17(16)2)26(23,24)22-11-9-21(10-12-22)15-18-7-5-4-6-8-18/h4-8,13-14H,9-12,15H2,1-3H3.
What are the key properties of 1-benzyl-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine?
1-benzyl-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine has a molecular weight of 374.51 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 2293923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).