4-methyl-2-(trifluoromethyl)pyrimidine-5-sulfonyl chloride

C6H4ClF3N2O2S — CID 169143995

IUPAC4-methyl-2-(trifluoromethyl)pyrimidine-5-sulfonyl chloride
SMILESCc1nc(C(F)(F)F)ncc1S(=O)(=O)Cl
InChIInChI=1S/C6H4ClF3N2O2S/c1-3-4(15(7,13)14)2-11-5(12-3)6(8,9)10/h2H,1H3
InChIKeyURELIVUMTWRYAZ-UHFFFAOYSA-N
MW260.62 g/mol
LogP1.73
Rot. Bonds1

About 4-methyl-2-(trifluoromethyl)pyrimidine-5-sulfonyl chloride

4-methyl-2-(trifluoromethyl)pyrimidine-5-sulfonyl chloride (PubChem CID 169143995) has the molecular formula C6H4ClF3N2O2S and a molecular weight of 260.62 g/mol. Its IUPAC name is 4-methyl-2-(trifluoromethyl)pyrimidine-5-sulfonyl chloride.

Molecular Properties

Compound Name4-methyl-2-(trifluoromethyl)pyrimidine-5-sulfonyl chloride
PubChem CID169143995
Molecular FormulaC6H4ClF3N2O2S
Molecular Weight260.62 g/mol
Exact Mass259.96
IUPAC Name4-methyl-2-(trifluoromethyl)pyrimidine-5-sulfonyl chloride
SMILESCc1nc(C(F)(F)F)ncc1S(=O)(=O)Cl
InChIInChI=1S/C6H4ClF3N2O2S/c1-3-4(15(7,13)14)2-11-5(12-3)6(8,9)10/h2H,1H3
InChIKeyURELIVUMTWRYAZ-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(trifluoromethyl)pyrimidine-5-sulfonyl chloride?
The IUPAC name of 4-methyl-2-(trifluoromethyl)pyrimidine-5-sulfonyl chloride (CID 169143995) is 4-methyl-2-(trifluoromethyl)pyrimidine-5-sulfonyl chloride.
What is the SMILES notation for 4-methyl-2-(trifluoromethyl)pyrimidine-5-sulfonyl chloride?
The canonical SMILES for 4-methyl-2-(trifluoromethyl)pyrimidine-5-sulfonyl chloride is Cc1nc(C(F)(F)F)ncc1S(=O)(=O)Cl.
What is the InChIKey of 4-methyl-2-(trifluoromethyl)pyrimidine-5-sulfonyl chloride?
The InChIKey is URELIVUMTWRYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3N2O2S/c1-3-4(15(7,13)14)2-11-5(12-3)6(8,9)10/h2H,1H3.
What are the key properties of 4-methyl-2-(trifluoromethyl)pyrimidine-5-sulfonyl chloride?
4-methyl-2-(trifluoromethyl)pyrimidine-5-sulfonyl chloride has a molecular weight of 260.62 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(trifluoromethyl)pyrimidine-5-sulfonyl chloride is sourced from PubChem (CID 169143995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).