2-methylsulfonyl-4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidine

C16H11F3N2O2S — CID 16654692

IUPAC2-methylsulfonyl-4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidine
SMILESCS(=O)(=O)c1nc(-c2ccc3ccccc3c2)cc(C(F)(F)F)n1
InChIInChI=1S/C16H11F3N2O2S/c1-24(22,23)15-20-13(9-14(21-15)16(17,18)19)12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3
InChIKeyCKGWZCSHFVAWNB-UHFFFAOYSA-N
MW352.34 g/mol
LogP3.72
Rot. Bonds2

About 2-methylsulfonyl-4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidine

2-methylsulfonyl-4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidine (PubChem CID 16654692) has the molecular formula C16H11F3N2O2S and a molecular weight of 352.34 g/mol. Its IUPAC name is 2-methylsulfonyl-4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-methylsulfonyl-4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidine
PubChem CID16654692
Molecular FormulaC16H11F3N2O2S
Molecular Weight352.34 g/mol
Exact Mass352.05
IUPAC Name2-methylsulfonyl-4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidine
SMILESCS(=O)(=O)c1nc(-c2ccc3ccccc3c2)cc(C(F)(F)F)n1
InChIInChI=1S/C16H11F3N2O2S/c1-24(22,23)15-20-13(9-14(21-15)16(17,18)19)12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3
InChIKeyCKGWZCSHFVAWNB-UHFFFAOYSA-N
XLogP3.72
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-methylsulfonyl-4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidine (CID 16654692) is 2-methylsulfonyl-4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-methylsulfonyl-4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-methylsulfonyl-4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidine is CS(=O)(=O)c1nc(-c2ccc3ccccc3c2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-methylsulfonyl-4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidine?
The InChIKey is CKGWZCSHFVAWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2S/c1-24(22,23)15-20-13(9-14(21-15)16(17,18)19)12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3.
What are the key properties of 2-methylsulfonyl-4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidine?
2-methylsulfonyl-4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidine has a molecular weight of 352.34 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-4-naphthalen-2-yl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 16654692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).