5-(4-chlorophenyl)sulfonyl-4-phenyl-2-pyridin-3-ylpyrimidine

C21H14ClN3O2S — CID 1488343

IUPAC5-(4-chlorophenyl)sulfonyl-4-phenyl-2-pyridin-3-ylpyrimidine
SMILESO=S(=O)(c1ccc(Cl)cc1)c1cnc(-c2cccnc2)nc1-c1ccccc1
InChIInChI=1S/C21H14ClN3O2S/c22-17-8-10-18(11-9-17)28(26,27)19-14-24-21(16-7-4-12-23-13-16)25-20(19)15-5-2-1-3-6-15/h1-14H
InChIKeyVBJKNLBTWVPDMS-UHFFFAOYSA-N
MW407.88 g/mol
LogP4.69
Rot. Bonds4

About 5-(4-chlorophenyl)sulfonyl-4-phenyl-2-pyridin-3-ylpyrimidine

5-(4-chlorophenyl)sulfonyl-4-phenyl-2-pyridin-3-ylpyrimidine (PubChem CID 1488343) has the molecular formula C21H14ClN3O2S and a molecular weight of 407.88 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-4-phenyl-2-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonyl-4-phenyl-2-pyridin-3-ylpyrimidine
PubChem CID1488343
Molecular FormulaC21H14ClN3O2S
Molecular Weight407.88 g/mol
Exact Mass407.05
IUPAC Name5-(4-chlorophenyl)sulfonyl-4-phenyl-2-pyridin-3-ylpyrimidine
SMILESO=S(=O)(c1ccc(Cl)cc1)c1cnc(-c2cccnc2)nc1-c1ccccc1
InChIInChI=1S/C21H14ClN3O2S/c22-17-8-10-18(11-9-17)28(26,27)19-14-24-21(16-7-4-12-23-13-16)25-20(19)15-5-2-1-3-6-15/h1-14H
InChIKeyVBJKNLBTWVPDMS-UHFFFAOYSA-N
XLogP4.69
TPSA72.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.88
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(4-chlorophenyl)sulfonyl-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-(4-chlorophenyl)sulfonyl-4-phenyl-2-pyridin-3-ylpyrimidine?
The IUPAC name of 5-(4-chlorophenyl)sulfonyl-4-phenyl-2-pyridin-3-ylpyrimidine (CID 1488343) is 5-(4-chlorophenyl)sulfonyl-4-phenyl-2-pyridin-3-ylpyrimidine.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-4-phenyl-2-pyridin-3-ylpyrimidine?
The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-4-phenyl-2-pyridin-3-ylpyrimidine is O=S(=O)(c1ccc(Cl)cc1)c1cnc(-c2cccnc2)nc1-c1ccccc1.
What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-4-phenyl-2-pyridin-3-ylpyrimidine?
The InChIKey is VBJKNLBTWVPDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3O2S/c22-17-8-10-18(11-9-17)28(26,27)19-14-24-21(16-7-4-12-23-13-16)25-20(19)15-5-2-1-3-6-15/h1-14H.
What are the key properties of 5-(4-chlorophenyl)sulfonyl-4-phenyl-2-pyridin-3-ylpyrimidine?
5-(4-chlorophenyl)sulfonyl-4-phenyl-2-pyridin-3-ylpyrimidine has a molecular weight of 407.88 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfonyl-4-phenyl-2-pyridin-3-ylpyrimidine is sourced from PubChem (CID 1488343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).