1-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-4-pyridin-2-ylpiperazine

C19H25N3O3S — CID 3851525

IUPAC1-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-4-pyridin-2-ylpiperazine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCN(c3ccccn3)CC2)c(C)c1C
InChIInChI=1S/C19H25N3O3S/c1-14-13-17(25-4)15(2)16(3)19(14)26(23,24)22-11-9-21(10-12-22)18-7-5-6-8-20-18/h5-8,13H,9-12H2,1-4H3
InChIKeyHXACJOIFSGDWJU-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.53
Rot. Bonds4

About 1-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-4-pyridin-2-ylpiperazine

1-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-4-pyridin-2-ylpiperazine (PubChem CID 3851525) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 1-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-4-pyridin-2-ylpiperazine
PubChem CID3851525
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name1-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-4-pyridin-2-ylpiperazine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCN(c3ccccn3)CC2)c(C)c1C
InChIInChI=1S/C19H25N3O3S/c1-14-13-17(25-4)15(2)16(3)19(14)26(23,24)22-11-9-21(10-12-22)18-7-5-6-8-20-18/h5-8,13H,9-12H2,1-4H3
InChIKeyHXACJOIFSGDWJU-UHFFFAOYSA-N
XLogP2.53
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-4-pyridin-2-ylpiperazine 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-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-4-pyridin-2-ylpiperazine (CID 3851525) is 1-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-4-pyridin-2-ylpiperazine is COc1cc(C)c(S(=O)(=O)N2CCN(c3ccccn3)CC2)c(C)c1C.
What is the InChIKey of 1-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-4-pyridin-2-ylpiperazine?
The InChIKey is HXACJOIFSGDWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-14-13-17(25-4)15(2)16(3)19(14)26(23,24)22-11-9-21(10-12-22)18-7-5-6-8-20-18/h5-8,13H,9-12H2,1-4H3.
What are the key properties of 1-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-4-pyridin-2-ylpiperazine?
1-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-4-pyridin-2-ylpiperazine has a molecular weight of 375.49 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 3851525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).