1-(2,4-dimethylphenyl)-4-(4-ethoxyphenyl)sulfonylpiperazine

C20H26N2O3S — CID 1262216

IUPAC1-(2,4-dimethylphenyl)-4-(4-ethoxyphenyl)sulfonylpiperazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3ccc(C)cc3C)CC2)cc1
InChIInChI=1S/C20H26N2O3S/c1-4-25-18-6-8-19(9-7-18)26(23,24)22-13-11-21(12-14-22)20-10-5-16(2)15-17(20)3/h5-10,15H,4,11-14H2,1-3H3
InChIKeyCPTWCRGKUNCFET-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.21
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-4-(4-ethoxyphenyl)sulfonylpiperazine

1-(2,4-dimethylphenyl)-4-(4-ethoxyphenyl)sulfonylpiperazine (PubChem CID 1262216) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-4-(4-ethoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-4-(4-ethoxyphenyl)sulfonylpiperazine
PubChem CID1262216
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name1-(2,4-dimethylphenyl)-4-(4-ethoxyphenyl)sulfonylpiperazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3ccc(C)cc3C)CC2)cc1
InChIInChI=1S/C20H26N2O3S/c1-4-25-18-6-8-19(9-7-18)26(23,24)22-13-11-21(12-14-22)20-10-5-16(2)15-17(20)3/h5-10,15H,4,11-14H2,1-3H3
InChIKeyCPTWCRGKUNCFET-UHFFFAOYSA-N
XLogP3.21
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-4-(4-ethoxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2,4-dimethylphenyl)-4-(4-ethoxyphenyl)sulfonylpiperazine (CID 1262216) is 1-(2,4-dimethylphenyl)-4-(4-ethoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-4-(4-ethoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-4-(4-ethoxyphenyl)sulfonylpiperazine is CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(C)cc3C)CC2)cc1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-4-(4-ethoxyphenyl)sulfonylpiperazine?
The InChIKey is CPTWCRGKUNCFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-4-25-18-6-8-19(9-7-18)26(23,24)22-13-11-21(12-14-22)20-10-5-16(2)15-17(20)3/h5-10,15H,4,11-14H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-4-(4-ethoxyphenyl)sulfonylpiperazine?
1-(2,4-dimethylphenyl)-4-(4-ethoxyphenyl)sulfonylpiperazine has a molecular weight of 374.51 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-4-(4-ethoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 1262216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).