N-[2-methoxy-6-(trifluoromethyl)phenyl]-5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

C15H11F6N5O3S — CID 14152254

IUPACN-[2-methoxy-6-(trifluoromethyl)phenyl]-5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCOc1cccc(C(F)(F)F)c1NS(=O)(=O)c1nc2nc(C)cc(C(F)(F)F)n2n1
InChIInChI=1S/C15H11F6N5O3S/c1-7-6-10(15(19,20)21)26-12(22-7)23-13(24-26)30(27,28)25-11-8(14(16,17)18)4-3-5-9(11)29-2/h3-6,25H,1-2H3
InChIKeyBWCVTIJMUBIDHF-UHFFFAOYSA-N
MW455.34 g/mol
LogP3.28
Rot. Bonds4

About N-[2-methoxy-6-(trifluoromethyl)phenyl]-5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

N-[2-methoxy-6-(trifluoromethyl)phenyl]-5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (PubChem CID 14152254) has the molecular formula C15H11F6N5O3S and a molecular weight of 455.34 g/mol. Its IUPAC name is N-[2-methoxy-6-(trifluoromethyl)phenyl]-5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-6-(trifluoromethyl)phenyl]-5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
PubChem CID14152254
Molecular FormulaC15H11F6N5O3S
Molecular Weight455.34 g/mol
Exact Mass455.05
IUPAC NameN-[2-methoxy-6-(trifluoromethyl)phenyl]-5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCOc1cccc(C(F)(F)F)c1NS(=O)(=O)c1nc2nc(C)cc(C(F)(F)F)n2n1
InChIInChI=1S/C15H11F6N5O3S/c1-7-6-10(15(19,20)21)26-12(22-7)23-13(24-26)30(27,28)25-11-8(14(16,17)18)4-3-5-9(11)29-2/h3-6,25H,1-2H3
InChIKeyBWCVTIJMUBIDHF-UHFFFAOYSA-N
XLogP3.28
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-6-(trifluoromethyl)phenyl]-5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The IUPAC name of N-[2-methoxy-6-(trifluoromethyl)phenyl]-5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (CID 14152254) is N-[2-methoxy-6-(trifluoromethyl)phenyl]-5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for N-[2-methoxy-6-(trifluoromethyl)phenyl]-5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The canonical SMILES for N-[2-methoxy-6-(trifluoromethyl)phenyl]-5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is COc1cccc(C(F)(F)F)c1NS(=O)(=O)c1nc2nc(C)cc(C(F)(F)F)n2n1.
What is the InChIKey of N-[2-methoxy-6-(trifluoromethyl)phenyl]-5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The InChIKey is BWCVTIJMUBIDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F6N5O3S/c1-7-6-10(15(19,20)21)26-12(22-7)23-13(24-26)30(27,28)25-11-8(14(16,17)18)4-3-5-9(11)29-2/h3-6,25H,1-2H3.
What are the key properties of N-[2-methoxy-6-(trifluoromethyl)phenyl]-5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
N-[2-methoxy-6-(trifluoromethyl)phenyl]-5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide has a molecular weight of 455.34 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-6-(trifluoromethyl)phenyl]-5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 14152254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).