4-(3,4-dichlorophenyl)-5-methylsulfonyl-2-phenylpyrimidine

C17H12Cl2N2O2S — CID 1480394

IUPAC4-(3,4-dichlorophenyl)-5-methylsulfonyl-2-phenylpyrimidine
SMILESCS(=O)(=O)c1cnc(-c2ccccc2)nc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H12Cl2N2O2S/c1-24(22,23)15-10-20-17(11-5-3-2-4-6-11)21-16(15)12-7-8-13(18)14(19)9-12/h2-10H,1H3
InChIKeyQZVKUAAJJZJCHR-UHFFFAOYSA-N
MW379.27 g/mol
LogP4.52
Rot. Bonds3

About 4-(3,4-dichlorophenyl)-5-methylsulfonyl-2-phenylpyrimidine

4-(3,4-dichlorophenyl)-5-methylsulfonyl-2-phenylpyrimidine (PubChem CID 1480394) has the molecular formula C17H12Cl2N2O2S and a molecular weight of 379.27 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-5-methylsulfonyl-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-5-methylsulfonyl-2-phenylpyrimidine
PubChem CID1480394
Molecular FormulaC17H12Cl2N2O2S
Molecular Weight379.27 g/mol
Exact Mass378.00
IUPAC Name4-(3,4-dichlorophenyl)-5-methylsulfonyl-2-phenylpyrimidine
SMILESCS(=O)(=O)c1cnc(-c2ccccc2)nc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H12Cl2N2O2S/c1-24(22,23)15-10-20-17(11-5-3-2-4-6-11)21-16(15)12-7-8-13(18)14(19)9-12/h2-10H,1H3
InChIKeyQZVKUAAJJZJCHR-UHFFFAOYSA-N
XLogP4.52
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.27
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-5-methylsulfonyl-2-phenylpyrimidine?
The IUPAC name of 4-(3,4-dichlorophenyl)-5-methylsulfonyl-2-phenylpyrimidine (CID 1480394) is 4-(3,4-dichlorophenyl)-5-methylsulfonyl-2-phenylpyrimidine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-5-methylsulfonyl-2-phenylpyrimidine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-5-methylsulfonyl-2-phenylpyrimidine is CS(=O)(=O)c1cnc(-c2ccccc2)nc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-5-methylsulfonyl-2-phenylpyrimidine?
The InChIKey is QZVKUAAJJZJCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2S/c1-24(22,23)15-10-20-17(11-5-3-2-4-6-11)21-16(15)12-7-8-13(18)14(19)9-12/h2-10H,1H3.
What are the key properties of 4-(3,4-dichlorophenyl)-5-methylsulfonyl-2-phenylpyrimidine?
4-(3,4-dichlorophenyl)-5-methylsulfonyl-2-phenylpyrimidine has a molecular weight of 379.27 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-5-methylsulfonyl-2-phenylpyrimidine is sourced from PubChem (CID 1480394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).