4-chloro-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine

C6H4ClF3N2O2S — CID 14280159

IUPAC4-chloro-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine
SMILESCS(=O)(=O)c1nc(Cl)cc(C(F)(F)F)n1
InChIInChI=1S/C6H4ClF3N2O2S/c1-15(13,14)5-11-3(6(8,9)10)2-4(7)12-5/h2H,1H3
InChIKeyQOGLJWXUTLRNMB-UHFFFAOYSA-N
MW260.62 g/mol
LogP1.55
Rot. Bonds1

About 4-chloro-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine

4-chloro-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine (PubChem CID 14280159) has the molecular formula C6H4ClF3N2O2S and a molecular weight of 260.62 g/mol. Its IUPAC name is 4-chloro-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine
PubChem CID14280159
Molecular FormulaC6H4ClF3N2O2S
Molecular Weight260.62 g/mol
Exact Mass259.96
IUPAC Name4-chloro-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine
SMILESCS(=O)(=O)c1nc(Cl)cc(C(F)(F)F)n1
InChIInChI=1S/C6H4ClF3N2O2S/c1-15(13,14)5-11-3(6(8,9)10)2-4(7)12-5/h2H,1H3
InChIKeyQOGLJWXUTLRNMB-UHFFFAOYSA-N
XLogP1.55
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.62
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine (CID 14280159) is 4-chloro-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine is CS(=O)(=O)c1nc(Cl)cc(C(F)(F)F)n1.
What is the InChIKey of 4-chloro-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is QOGLJWXUTLRNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3N2O2S/c1-15(13,14)5-11-3(6(8,9)10)2-4(7)12-5/h2H,1H3.
What are the key properties of 4-chloro-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine?
4-chloro-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 260.62 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 14280159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).