1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine

C20H26N2O4S — CID 1298178

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine
SMILESCCc1ccccc1N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1
InChIInChI=1S/C20H26N2O4S/c1-4-16-7-5-6-8-18(16)21-11-13-22(14-12-21)27(23,24)20-15-17(25-2)9-10-19(20)26-3/h5-10,15H,4,11-14H2,1-3H3
InChIKeyRYTCOJAGKUISTJ-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.78
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine

1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine (PubChem CID 1298178) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine
PubChem CID1298178
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine
SMILESCCc1ccccc1N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1
InChIInChI=1S/C20H26N2O4S/c1-4-16-7-5-6-8-18(16)21-11-13-22(14-12-21)27(23,24)20-15-17(25-2)9-10-19(20)26-3/h5-10,15H,4,11-14H2,1-3H3
InChIKeyRYTCOJAGKUISTJ-UHFFFAOYSA-N
XLogP2.78
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine (CID 1298178) is 1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine is CCc1ccccc1N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine?
The InChIKey is RYTCOJAGKUISTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-4-16-7-5-6-8-18(16)21-11-13-22(14-12-21)27(23,24)20-15-17(25-2)9-10-19(20)26-3/h5-10,15H,4,11-14H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine?
1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine has a molecular weight of 390.51 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine is sourced from PubChem (CID 1298178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).