5-(benzenesulfonyl)-4-phenyl-2-pyridin-3-ylpyrimidine

C21H15N3O2S — CID 1488233

IUPAC5-(benzenesulfonyl)-4-phenyl-2-pyridin-3-ylpyrimidine
SMILESO=S(=O)(c1ccccc1)c1cnc(-c2cccnc2)nc1-c1ccccc1
InChIInChI=1S/C21H15N3O2S/c25-27(26,18-11-5-2-6-12-18)19-15-23-21(17-10-7-13-22-14-17)24-20(19)16-8-3-1-4-9-16/h1-15H
InChIKeyARCDMDHZEVAFEZ-UHFFFAOYSA-N
MW373.44 g/mol
LogP4.04
Rot. Bonds4

About 5-(benzenesulfonyl)-4-phenyl-2-pyridin-3-ylpyrimidine

5-(benzenesulfonyl)-4-phenyl-2-pyridin-3-ylpyrimidine (PubChem CID 1488233) has the molecular formula C21H15N3O2S and a molecular weight of 373.44 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-4-phenyl-2-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name5-(benzenesulfonyl)-4-phenyl-2-pyridin-3-ylpyrimidine
PubChem CID1488233
Molecular FormulaC21H15N3O2S
Molecular Weight373.44 g/mol
Exact Mass373.09
IUPAC Name5-(benzenesulfonyl)-4-phenyl-2-pyridin-3-ylpyrimidine
SMILESO=S(=O)(c1ccccc1)c1cnc(-c2cccnc2)nc1-c1ccccc1
InChIInChI=1S/C21H15N3O2S/c25-27(26,18-11-5-2-6-12-18)19-15-23-21(17-10-7-13-22-14-17)24-20(19)16-8-3-1-4-9-16/h1-15H
InChIKeyARCDMDHZEVAFEZ-UHFFFAOYSA-N
XLogP4.04
TPSA72.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(benzenesulfonyl)-4-phenyl-2-pyridin-3-ylpyrimidine 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-phenyl-2-pyridin-3-ylpyrimidine?
The IUPAC name of 5-(benzenesulfonyl)-4-phenyl-2-pyridin-3-ylpyrimidine (CID 1488233) is 5-(benzenesulfonyl)-4-phenyl-2-pyridin-3-ylpyrimidine.
What is the SMILES notation for 5-(benzenesulfonyl)-4-phenyl-2-pyridin-3-ylpyrimidine?
The canonical SMILES for 5-(benzenesulfonyl)-4-phenyl-2-pyridin-3-ylpyrimidine is O=S(=O)(c1ccccc1)c1cnc(-c2cccnc2)nc1-c1ccccc1.
What is the InChIKey of 5-(benzenesulfonyl)-4-phenyl-2-pyridin-3-ylpyrimidine?
The InChIKey is ARCDMDHZEVAFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2S/c25-27(26,18-11-5-2-6-12-18)19-15-23-21(17-10-7-13-22-14-17)24-20(19)16-8-3-1-4-9-16/h1-15H.
What are the key properties of 5-(benzenesulfonyl)-4-phenyl-2-pyridin-3-ylpyrimidine?
5-(benzenesulfonyl)-4-phenyl-2-pyridin-3-ylpyrimidine has a molecular weight of 373.44 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-4-phenyl-2-pyridin-3-ylpyrimidine is sourced from PubChem (CID 1488233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).