5-methyl-N-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

C13H10F3N5O2S — CID 14155251

IUPAC5-methyl-N-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCc1ccn2nc(S(=O)(=O)Nc3ccccc3C(F)(F)F)nc2n1
InChIInChI=1S/C13H10F3N5O2S/c1-8-6-7-21-11(17-8)18-12(19-21)24(22,23)20-10-5-3-2-4-9(10)13(14,15)16/h2-7,20H,1H3
InChIKeyWJLJVFXVKTYWEK-UHFFFAOYSA-N
MW357.32 g/mol
LogP2.25
Rot. Bonds3

About 5-methyl-N-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

5-methyl-N-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (PubChem CID 14155251) has the molecular formula C13H10F3N5O2S and a molecular weight of 357.32 g/mol. Its IUPAC name is 5-methyl-N-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
PubChem CID14155251
Molecular FormulaC13H10F3N5O2S
Molecular Weight357.32 g/mol
Exact Mass357.05
IUPAC Name5-methyl-N-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCc1ccn2nc(S(=O)(=O)Nc3ccccc3C(F)(F)F)nc2n1
InChIInChI=1S/C13H10F3N5O2S/c1-8-6-7-21-11(17-8)18-12(19-21)24(22,23)20-10-5-3-2-4-9(10)13(14,15)16/h2-7,20H,1H3
InChIKeyWJLJVFXVKTYWEK-UHFFFAOYSA-N
XLogP2.25
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 91759
Florasulam
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Jak2/tyk2-IN-1
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N-benzyl-N,5,7-trimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
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N-benzyl-N-ethyl-5,6,7-trimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 1242591
4-(pyrazolo[1,5-b]pyridazin-3-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 10286242
5-methyl-2-(methylsulfonyl)-N-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53392800
N-(7-fluoroquinolin-8-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 76315875
5,7-dimethyl-N-quinolin-8-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 76334039
N-(7-fluoroquinolin-8-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 76334040
US11472791, Example 13
CID 155688685

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The IUPAC name of 5-methyl-N-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (CID 14155251) is 5-methyl-N-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is Cc1ccn2nc(S(=O)(=O)Nc3ccccc3C(F)(F)F)nc2n1.
What is the InChIKey of 5-methyl-N-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The InChIKey is WJLJVFXVKTYWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5O2S/c1-8-6-7-21-11(17-8)18-12(19-21)24(22,23)20-10-5-3-2-4-9(10)13(14,15)16/h2-7,20H,1H3.
What are the key properties of 5-methyl-N-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
5-methyl-N-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide has a molecular weight of 357.32 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 14155251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).