1-(3,4-dimethylphenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine

C20H26N2O5S2 — CID 4827486

IUPAC1-(3,4-dimethylphenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1
InChIInChI=1S/C20H26N2O5S2/c1-4-27-18-6-9-19(10-7-18)28(23,24)21-11-13-22(14-12-21)29(25,26)20-8-5-16(2)17(3)15-20/h5-10,15H,4,11-14H2,1-3H3
InChIKeyGEIHAXJXUAKFRN-UHFFFAOYSA-N
MW438.57 g/mol
LogP2.40
Rot. Bonds6

About 1-(3,4-dimethylphenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine

1-(3,4-dimethylphenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine (PubChem CID 4827486) has the molecular formula C20H26N2O5S2 and a molecular weight of 438.57 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine
PubChem CID4827486
Molecular FormulaC20H26N2O5S2
Molecular Weight438.57 g/mol
Exact Mass438.13
IUPAC Name1-(3,4-dimethylphenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1
InChIInChI=1S/C20H26N2O5S2/c1-4-27-18-6-9-19(10-7-18)28(23,24)21-11-13-22(14-12-21)29(25,26)20-8-5-16(2)17(3)15-20/h5-10,15H,4,11-14H2,1-3H3
InChIKeyGEIHAXJXUAKFRN-UHFFFAOYSA-N
XLogP2.40
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3,4-dimethylphenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine (CID 4827486) is 1-(3,4-dimethylphenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(3,4-dimethylphenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine is CCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1.
What is the InChIKey of 1-(3,4-dimethylphenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine?
The InChIKey is GEIHAXJXUAKFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S2/c1-4-27-18-6-9-19(10-7-18)28(23,24)21-11-13-22(14-12-21)29(25,26)20-8-5-16(2)17(3)15-20/h5-10,15H,4,11-14H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine?
1-(3,4-dimethylphenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine has a molecular weight of 438.57 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 4827486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).