1-(4-methoxyphenyl)-4-(2-methoxyphenyl)sulfonylpiperazine

C18H22N2O4S — CID 51109656

IUPAC1-(4-methoxyphenyl)-4-(2-methoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3ccccc3OC)CC2)cc1
InChIInChI=1S/C18H22N2O4S/c1-23-16-9-7-15(8-10-16)19-11-13-20(14-12-19)25(21,22)18-6-4-3-5-17(18)24-2/h3-10H,11-14H2,1-2H3
InChIKeyUOTCGSUTJSNCGF-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.21
Rot. Bonds5

About 1-(4-methoxyphenyl)-4-(2-methoxyphenyl)sulfonylpiperazine

1-(4-methoxyphenyl)-4-(2-methoxyphenyl)sulfonylpiperazine (PubChem CID 51109656) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-(2-methoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-(2-methoxyphenyl)sulfonylpiperazine
PubChem CID51109656
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name1-(4-methoxyphenyl)-4-(2-methoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3ccccc3OC)CC2)cc1
InChIInChI=1S/C18H22N2O4S/c1-23-16-9-7-15(8-10-16)19-11-13-20(14-12-19)25(21,22)18-6-4-3-5-17(18)24-2/h3-10H,11-14H2,1-2H3
InChIKeyUOTCGSUTJSNCGF-UHFFFAOYSA-N
XLogP2.21
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-(2-methoxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-(4-methoxyphenyl)-4-(2-methoxyphenyl)sulfonylpiperazine (CID 51109656) is 1-(4-methoxyphenyl)-4-(2-methoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-(2-methoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(4-methoxyphenyl)-4-(2-methoxyphenyl)sulfonylpiperazine is COc1ccc(N2CCN(S(=O)(=O)c3ccccc3OC)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-(2-methoxyphenyl)sulfonylpiperazine?
The InChIKey is UOTCGSUTJSNCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-23-16-9-7-15(8-10-16)19-11-13-20(14-12-19)25(21,22)18-6-4-3-5-17(18)24-2/h3-10H,11-14H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-4-(2-methoxyphenyl)sulfonylpiperazine?
1-(4-methoxyphenyl)-4-(2-methoxyphenyl)sulfonylpiperazine has a molecular weight of 362.45 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-(2-methoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 51109656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).