1-benzyl-4-(4-methoxyphenyl)sulfonylpiperazine

C18H22N2O3S — CID 660773

IUPAC1-benzyl-4-(4-methoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C18H22N2O3S/c1-23-17-7-9-18(10-8-17)24(21,22)20-13-11-19(12-14-20)15-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3
InChIKeyREHKMTKLKGINOV-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.20
Rot. Bonds5

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

1-benzyl-4-(4-methoxyphenyl)sulfonylpiperazine (PubChem CID 660773) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-benzyl-4-(4-methoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-benzyl-4-(4-methoxyphenyl)sulfonylpiperazine
PubChem CID660773
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name1-benzyl-4-(4-methoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C18H22N2O3S/c1-23-17-7-9-18(10-8-17)24(21,22)20-13-11-19(12-14-20)15-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3
InChIKeyREHKMTKLKGINOV-UHFFFAOYSA-N
XLogP2.20
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.20
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-methoxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-benzyl-4-(4-methoxyphenyl)sulfonylpiperazine (CID 660773) is 1-benzyl-4-(4-methoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-benzyl-4-(4-methoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-benzyl-4-(4-methoxyphenyl)sulfonylpiperazine is COc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-(4-methoxyphenyl)sulfonylpiperazine?
The InChIKey is REHKMTKLKGINOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-23-17-7-9-18(10-8-17)24(21,22)20-13-11-19(12-14-20)15-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3.
What are the key properties of 1-benzyl-4-(4-methoxyphenyl)sulfonylpiperazine?
1-benzyl-4-(4-methoxyphenyl)sulfonylpiperazine has a molecular weight of 346.45 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-methoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 660773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).