3-[6-[4-methyl-6-(3,4,5-trifluoro-6-methyl-2-pyridinyl)pyrimidin-2-yl]-2-pyridinyl]benzenesulfonamide

C22H16F3N5O2S — CID 68634957

IUPAC3-[6-[4-methyl-6-(3,4,5-trifluoro-6-methyl-2-pyridinyl)pyrimidin-2-yl]-2-pyridinyl]benzenesulfonamide
SMILESCc1cc(-c2nc(C)c(F)c(F)c2F)nc(-c2cccc(-c3cccc(S(N)(=O)=O)c3)n2)n1
InChIInChI=1S/C22H16F3N5O2S/c1-11-9-17(21-20(25)19(24)18(23)12(2)28-21)30-22(27-11)16-8-4-7-15(29-16)13-5-3-6-14(10-13)33(26,31)32/h3-10H,1-2H3,(H2,26,31,32)
InChIKeySIDUVOGKQGVKIN-UHFFFAOYSA-N
MW471.46 g/mol
LogP3.95
Rot. Bonds4

About 3-[6-[4-methyl-6-(3,4,5-trifluoro-6-methyl-2-pyridinyl)pyrimidin-2-yl]-2-pyridinyl]benzenesulfonamide

3-[6-[4-methyl-6-(3,4,5-trifluoro-6-methyl-2-pyridinyl)pyrimidin-2-yl]-2-pyridinyl]benzenesulfonamide (PubChem CID 68634957) has the molecular formula C22H16F3N5O2S and a molecular weight of 471.46 g/mol. Its IUPAC name is 3-[6-[4-methyl-6-(3,4,5-trifluoro-6-methyl-2-pyridinyl)pyrimidin-2-yl]-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[6-[4-methyl-6-(3,4,5-trifluoro-6-methyl-2-pyridinyl)pyrimidin-2-yl]-2-pyridinyl]benzenesulfonamide
PubChem CID68634957
Molecular FormulaC22H16F3N5O2S
Molecular Weight471.46 g/mol
Exact Mass471.10
IUPAC Name3-[6-[4-methyl-6-(3,4,5-trifluoro-6-methyl-2-pyridinyl)pyrimidin-2-yl]-2-pyridinyl]benzenesulfonamide
SMILESCc1cc(-c2nc(C)c(F)c(F)c2F)nc(-c2cccc(-c3cccc(S(N)(=O)=O)c3)n2)n1
InChIInChI=1S/C22H16F3N5O2S/c1-11-9-17(21-20(25)19(24)18(23)12(2)28-21)30-22(27-11)16-8-4-7-15(29-16)13-5-3-6-14(10-13)33(26,31)32/h3-10H,1-2H3,(H2,26,31,32)
InChIKeySIDUVOGKQGVKIN-UHFFFAOYSA-N
XLogP3.95
TPSA111.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-methyl-6-(3,4,5-trifluoro-6-methyl-2-pyridinyl)pyrimidin-2-yl]-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 3-[6-[4-methyl-6-(3,4,5-trifluoro-6-methyl-2-pyridinyl)pyrimidin-2-yl]-2-pyridinyl]benzenesulfonamide (CID 68634957) is 3-[6-[4-methyl-6-(3,4,5-trifluoro-6-methyl-2-pyridinyl)pyrimidin-2-yl]-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 3-[6-[4-methyl-6-(3,4,5-trifluoro-6-methyl-2-pyridinyl)pyrimidin-2-yl]-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 3-[6-[4-methyl-6-(3,4,5-trifluoro-6-methyl-2-pyridinyl)pyrimidin-2-yl]-2-pyridinyl]benzenesulfonamide is Cc1cc(-c2nc(C)c(F)c(F)c2F)nc(-c2cccc(-c3cccc(S(N)(=O)=O)c3)n2)n1.
What is the InChIKey of 3-[6-[4-methyl-6-(3,4,5-trifluoro-6-methyl-2-pyridinyl)pyrimidin-2-yl]-2-pyridinyl]benzenesulfonamide?
The InChIKey is SIDUVOGKQGVKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O2S/c1-11-9-17(21-20(25)19(24)18(23)12(2)28-21)30-22(27-11)16-8-4-7-15(29-16)13-5-3-6-14(10-13)33(26,31)32/h3-10H,1-2H3,(H2,26,31,32).
What are the key properties of 3-[6-[4-methyl-6-(3,4,5-trifluoro-6-methyl-2-pyridinyl)pyrimidin-2-yl]-2-pyridinyl]benzenesulfonamide?
3-[6-[4-methyl-6-(3,4,5-trifluoro-6-methyl-2-pyridinyl)pyrimidin-2-yl]-2-pyridinyl]benzenesulfonamide has a molecular weight of 471.46 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-methyl-6-(3,4,5-trifluoro-6-methyl-2-pyridinyl)pyrimidin-2-yl]-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 68634957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).