1-(3,4-dimethoxyphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine

C20H26N2O4S — CID 1262214

IUPAC1-(3,4-dimethoxyphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccc(C)cc3C)CC2)cc1OC
InChIInChI=1S/C20H26N2O4S/c1-15-5-7-18(16(2)13-15)21-9-11-22(12-10-21)27(23,24)17-6-8-19(25-3)20(14-17)26-4/h5-8,13-14H,9-12H2,1-4H3
InChIKeyMBQYDYWCQPCOFA-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.83
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine

1-(3,4-dimethoxyphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine (PubChem CID 1262214) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine
PubChem CID1262214
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccc(C)cc3C)CC2)cc1OC
InChIInChI=1S/C20H26N2O4S/c1-15-5-7-18(16(2)13-15)21-9-11-22(12-10-21)27(23,24)17-6-8-19(25-3)20(14-17)26-4/h5-8,13-14H,9-12H2,1-4H3
InChIKeyMBQYDYWCQPCOFA-UHFFFAOYSA-N
XLogP2.83
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine (CID 1262214) is 1-(3,4-dimethoxyphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine is COc1ccc(S(=O)(=O)N2CCN(c3ccc(C)cc3C)CC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine?
The InChIKey is MBQYDYWCQPCOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-15-5-7-18(16(2)13-15)21-9-11-22(12-10-21)27(23,24)17-6-8-19(25-3)20(14-17)26-4/h5-8,13-14H,9-12H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine?
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine has a molecular weight of 390.51 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine is sourced from PubChem (CID 1262214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).