1,4-bis[(4-methoxyphenyl)sulfonyl]piperazine

C18H22N2O6S2 — CID 1104493

IUPAC1,4-bis[(4-methoxyphenyl)sulfonyl]piperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C18H22N2O6S2/c1-25-15-3-7-17(8-4-15)27(21,22)19-11-13-20(14-12-19)28(23,24)18-9-5-16(26-2)6-10-18/h3-10H,11-14H2,1-2H3
InChIKeyKNAWMKIGAFSGGS-UHFFFAOYSA-N
MW426.52 g/mol
LogP1.40
Rot. Bonds6

About 1,4-bis[(4-methoxyphenyl)sulfonyl]piperazine

1,4-bis[(4-methoxyphenyl)sulfonyl]piperazine (PubChem CID 1104493) has the molecular formula C18H22N2O6S2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 1,4-bis[(4-methoxyphenyl)sulfonyl]piperazine.

Molecular Properties

Compound Name1,4-bis[(4-methoxyphenyl)sulfonyl]piperazine
PubChem CID1104493
Molecular FormulaC18H22N2O6S2
Molecular Weight426.52 g/mol
Exact Mass426.09
IUPAC Name1,4-bis[(4-methoxyphenyl)sulfonyl]piperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C18H22N2O6S2/c1-25-15-3-7-17(8-4-15)27(21,22)19-11-13-20(14-12-19)28(23,24)18-9-5-16(26-2)6-10-18/h3-10H,11-14H2,1-2H3
InChIKeyKNAWMKIGAFSGGS-UHFFFAOYSA-N
XLogP1.40
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(4-methoxyphenyl)sulfonyl]piperazine?
The IUPAC name of 1,4-bis[(4-methoxyphenyl)sulfonyl]piperazine (CID 1104493) is 1,4-bis[(4-methoxyphenyl)sulfonyl]piperazine.
What is the SMILES notation for 1,4-bis[(4-methoxyphenyl)sulfonyl]piperazine?
The canonical SMILES for 1,4-bis[(4-methoxyphenyl)sulfonyl]piperazine is COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of 1,4-bis[(4-methoxyphenyl)sulfonyl]piperazine?
The InChIKey is KNAWMKIGAFSGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6S2/c1-25-15-3-7-17(8-4-15)27(21,22)19-11-13-20(14-12-19)28(23,24)18-9-5-16(26-2)6-10-18/h3-10H,11-14H2,1-2H3.
What are the key properties of 1,4-bis[(4-methoxyphenyl)sulfonyl]piperazine?
1,4-bis[(4-methoxyphenyl)sulfonyl]piperazine has a molecular weight of 426.52 g/mol, XLogP of 1.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(4-methoxyphenyl)sulfonyl]piperazine is sourced from PubChem (CID 1104493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).