2,4-dichloro-6-(3-methylsulfonylphenyl)pyrimidine

C11H8Cl2N2O2S — CID 59198382

IUPAC2,4-dichloro-6-(3-methylsulfonylphenyl)pyrimidine
SMILESCS(=O)(=O)c1cccc(-c2cc(Cl)nc(Cl)n2)c1
InChIInChI=1S/C11H8Cl2N2O2S/c1-18(16,17)8-4-2-3-7(5-8)9-6-10(12)15-11(13)14-9/h2-6H,1H3
InChIKeyUPCWJZOHWXVKQO-UHFFFAOYSA-N
MW303.17 g/mol
LogP2.85
Rot. Bonds2

About 2,4-dichloro-6-(3-methylsulfonylphenyl)pyrimidine

2,4-dichloro-6-(3-methylsulfonylphenyl)pyrimidine (PubChem CID 59198382) has the molecular formula C11H8Cl2N2O2S and a molecular weight of 303.17 g/mol. Its IUPAC name is 2,4-dichloro-6-(3-methylsulfonylphenyl)pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-6-(3-methylsulfonylphenyl)pyrimidine
PubChem CID59198382
Molecular FormulaC11H8Cl2N2O2S
Molecular Weight303.17 g/mol
Exact Mass301.97
IUPAC Name2,4-dichloro-6-(3-methylsulfonylphenyl)pyrimidine
SMILESCS(=O)(=O)c1cccc(-c2cc(Cl)nc(Cl)n2)c1
InChIInChI=1S/C11H8Cl2N2O2S/c1-18(16,17)8-4-2-3-7(5-8)9-6-10(12)15-11(13)14-9/h2-6H,1H3
InChIKeyUPCWJZOHWXVKQO-UHFFFAOYSA-N
XLogP2.85
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(3-methylsulfonylphenyl)pyrimidine?
The IUPAC name of 2,4-dichloro-6-(3-methylsulfonylphenyl)pyrimidine (CID 59198382) is 2,4-dichloro-6-(3-methylsulfonylphenyl)pyrimidine.
What is the SMILES notation for 2,4-dichloro-6-(3-methylsulfonylphenyl)pyrimidine?
The canonical SMILES for 2,4-dichloro-6-(3-methylsulfonylphenyl)pyrimidine is CS(=O)(=O)c1cccc(-c2cc(Cl)nc(Cl)n2)c1.
What is the InChIKey of 2,4-dichloro-6-(3-methylsulfonylphenyl)pyrimidine?
The InChIKey is UPCWJZOHWXVKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2S/c1-18(16,17)8-4-2-3-7(5-8)9-6-10(12)15-11(13)14-9/h2-6H,1H3.
What are the key properties of 2,4-dichloro-6-(3-methylsulfonylphenyl)pyrimidine?
2,4-dichloro-6-(3-methylsulfonylphenyl)pyrimidine has a molecular weight of 303.17 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(3-methylsulfonylphenyl)pyrimidine is sourced from PubChem (CID 59198382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).