1-[4-(2-methoxyphenoxy)phenyl]sulfonyl-4-methylpiperazine

C18H22N2O4S — CID 1190534

IUPAC1-[4-(2-methoxyphenoxy)phenyl]sulfonyl-4-methylpiperazine
SMILESCOc1ccccc1Oc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C18H22N2O4S/c1-19-11-13-20(14-12-19)25(21,22)16-9-7-15(8-10-16)24-18-6-4-3-5-17(18)23-2/h3-10H,11-14H2,1-2H3
InChIKeyQGMGWCNBWUGALZ-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.42
Rot. Bonds5

About 1-[4-(2-methoxyphenoxy)phenyl]sulfonyl-4-methylpiperazine

1-[4-(2-methoxyphenoxy)phenyl]sulfonyl-4-methylpiperazine (PubChem CID 1190534) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenoxy)phenyl]sulfonyl-4-methylpiperazine.

Molecular Properties

Compound Name1-[4-(2-methoxyphenoxy)phenyl]sulfonyl-4-methylpiperazine
PubChem CID1190534
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name1-[4-(2-methoxyphenoxy)phenyl]sulfonyl-4-methylpiperazine
SMILESCOc1ccccc1Oc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C18H22N2O4S/c1-19-11-13-20(14-12-19)25(21,22)16-9-7-15(8-10-16)24-18-6-4-3-5-17(18)23-2/h3-10H,11-14H2,1-2H3
InChIKeyQGMGWCNBWUGALZ-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenoxy)phenyl]sulfonyl-4-methylpiperazine?
The IUPAC name of 1-[4-(2-methoxyphenoxy)phenyl]sulfonyl-4-methylpiperazine (CID 1190534) is 1-[4-(2-methoxyphenoxy)phenyl]sulfonyl-4-methylpiperazine.
What is the SMILES notation for 1-[4-(2-methoxyphenoxy)phenyl]sulfonyl-4-methylpiperazine?
The canonical SMILES for 1-[4-(2-methoxyphenoxy)phenyl]sulfonyl-4-methylpiperazine is COc1ccccc1Oc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of 1-[4-(2-methoxyphenoxy)phenyl]sulfonyl-4-methylpiperazine?
The InChIKey is QGMGWCNBWUGALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-19-11-13-20(14-12-19)25(21,22)16-9-7-15(8-10-16)24-18-6-4-3-5-17(18)23-2/h3-10H,11-14H2,1-2H3.
What are the key properties of 1-[4-(2-methoxyphenoxy)phenyl]sulfonyl-4-methylpiperazine?
1-[4-(2-methoxyphenoxy)phenyl]sulfonyl-4-methylpiperazine has a molecular weight of 362.45 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenoxy)phenyl]sulfonyl-4-methylpiperazine is sourced from PubChem (CID 1190534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).