1-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine

C19H24N2O4S — CID 113077949

IUPAC1-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3ccccc3C)CC2)c(OC)c1
InChIInChI=1S/C19H24N2O4S/c1-15-6-4-5-7-19(15)26(22,23)21-12-10-20(11-13-21)17-9-8-16(24-2)14-18(17)25-3/h4-9,14H,10-13H2,1-3H3
InChIKeyXGDUISJZGLFRSP-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.52
Rot. Bonds5

About 1-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine

1-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine (PubChem CID 113077949) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
PubChem CID113077949
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name1-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3ccccc3C)CC2)c(OC)c1
InChIInChI=1S/C19H24N2O4S/c1-15-6-4-5-7-19(15)26(22,23)21-12-10-20(11-13-21)17-9-8-16(24-2)14-18(17)25-3/h4-9,14H,10-13H2,1-3H3
InChIKeyXGDUISJZGLFRSP-UHFFFAOYSA-N
XLogP2.52
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 113077346
1-(4-chloro-2-methoxy-5-methylphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113080661
1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine
CID 113075257
1-(2-chloro-6-methylphenyl)sulfonyl-4-(2,4-dimethoxyphenyl)piperazine
CID 6737037
1-(3-methoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine
CID 113077373
1-(2,4-dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
CID 5000474
1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-propan-2-ylphenyl)piperazine
CID 113076150
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 91669754
1-(2-methylphenyl)sulfonylaziridine
CID 22214975
1-(benzenesulfonyl)-4-(2,5-dimethoxyphenyl)piperazine
CID 113077853
1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 23932557
1-(4-methoxyphenyl)-4-(2-methoxyphenyl)sulfonylpiperazine
CID 51109656

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine (CID 113077949) is 1-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine is COc1ccc(N2CCN(S(=O)(=O)c3ccccc3C)CC2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine?
The InChIKey is XGDUISJZGLFRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-15-6-4-5-7-19(15)26(22,23)21-12-10-20(11-13-21)17-9-8-16(24-2)14-18(17)25-3/h4-9,14H,10-13H2,1-3H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine?
1-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine has a molecular weight of 376.48 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 113077949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).