5-(benzenesulfonyl)-4-(2,6-dimethylphenoxy)-2-phenylpyrimidine

C24H20N2O3S — CID 3767519

IUPAC5-(benzenesulfonyl)-4-(2,6-dimethylphenoxy)-2-phenylpyrimidine
SMILESCc1cccc(C)c1Oc1nc(-c2ccccc2)ncc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H20N2O3S/c1-17-10-9-11-18(2)22(17)29-24-21(30(27,28)20-14-7-4-8-15-20)16-25-23(26-24)19-12-5-3-6-13-19/h3-16H,1-2H3
InChIKeyRHIMXBAPHQHSSP-UHFFFAOYSA-N
MW416.50 g/mol
LogP5.39
Rot. Bonds5

About 5-(benzenesulfonyl)-4-(2,6-dimethylphenoxy)-2-phenylpyrimidine

5-(benzenesulfonyl)-4-(2,6-dimethylphenoxy)-2-phenylpyrimidine (PubChem CID 3767519) has the molecular formula C24H20N2O3S and a molecular weight of 416.50 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-4-(2,6-dimethylphenoxy)-2-phenylpyrimidine.

Molecular Properties

Compound Name5-(benzenesulfonyl)-4-(2,6-dimethylphenoxy)-2-phenylpyrimidine
PubChem CID3767519
Molecular FormulaC24H20N2O3S
Molecular Weight416.50 g/mol
Exact Mass416.12
IUPAC Name5-(benzenesulfonyl)-4-(2,6-dimethylphenoxy)-2-phenylpyrimidine
SMILESCc1cccc(C)c1Oc1nc(-c2ccccc2)ncc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H20N2O3S/c1-17-10-9-11-18(2)22(17)29-24-21(30(27,28)20-14-7-4-8-15-20)16-25-23(26-24)19-12-5-3-6-13-19/h3-16H,1-2H3
InChIKeyRHIMXBAPHQHSSP-UHFFFAOYSA-N
XLogP5.39
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.50
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(benzenesulfonyl)-4-(2,6-dimethylphenoxy)-2-phenylpyrimidine 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 5-(benzenesulfonyl)-4-(2,6-dimethylphenoxy)-2-phenylpyrimidine?
The IUPAC name of 5-(benzenesulfonyl)-4-(2,6-dimethylphenoxy)-2-phenylpyrimidine (CID 3767519) is 5-(benzenesulfonyl)-4-(2,6-dimethylphenoxy)-2-phenylpyrimidine.
What is the SMILES notation for 5-(benzenesulfonyl)-4-(2,6-dimethylphenoxy)-2-phenylpyrimidine?
The canonical SMILES for 5-(benzenesulfonyl)-4-(2,6-dimethylphenoxy)-2-phenylpyrimidine is Cc1cccc(C)c1Oc1nc(-c2ccccc2)ncc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 5-(benzenesulfonyl)-4-(2,6-dimethylphenoxy)-2-phenylpyrimidine?
The InChIKey is RHIMXBAPHQHSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3S/c1-17-10-9-11-18(2)22(17)29-24-21(30(27,28)20-14-7-4-8-15-20)16-25-23(26-24)19-12-5-3-6-13-19/h3-16H,1-2H3.
What are the key properties of 5-(benzenesulfonyl)-4-(2,6-dimethylphenoxy)-2-phenylpyrimidine?
5-(benzenesulfonyl)-4-(2,6-dimethylphenoxy)-2-phenylpyrimidine has a molecular weight of 416.50 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-4-(2,6-dimethylphenoxy)-2-phenylpyrimidine is sourced from PubChem (CID 3767519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).