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

C15H14F3N5O3S — CID 14152255

IUPACN-[2-methoxy-6-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCOc1cccc(C(F)(F)F)c1NS(=O)(=O)c1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C15H14F3N5O3S/c1-8-7-9(2)23-13(19-8)20-14(21-23)27(24,25)22-12-10(15(16,17)18)5-4-6-11(12)26-3/h4-7,22H,1-3H3
InChIKeyXSIJLGNKELHBCE-UHFFFAOYSA-N
MW401.37 g/mol
LogP2.57
Rot. Bonds4

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

N-[2-methoxy-6-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (PubChem CID 14152255) has the molecular formula C15H14F3N5O3S and a molecular weight of 401.37 g/mol. Its IUPAC name is N-[2-methoxy-6-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-6-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
PubChem CID14152255
Molecular FormulaC15H14F3N5O3S
Molecular Weight401.37 g/mol
Exact Mass401.08
IUPAC NameN-[2-methoxy-6-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCOc1cccc(C(F)(F)F)c1NS(=O)(=O)c1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C15H14F3N5O3S/c1-8-7-9(2)23-13(19-8)20-14(21-23)27(24,25)22-12-10(15(16,17)18)5-4-6-11(12)26-3/h4-7,22H,1-3H3
InChIKeyXSIJLGNKELHBCE-UHFFFAOYSA-N
XLogP2.57
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.37
LogP ≤ 52.57
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]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The IUPAC name of N-[2-methoxy-6-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (CID 14152255) is N-[2-methoxy-6-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for N-[2-methoxy-6-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The canonical SMILES for N-[2-methoxy-6-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is COc1cccc(C(F)(F)F)c1NS(=O)(=O)c1nc2nc(C)cc(C)n2n1.
What is the InChIKey of N-[2-methoxy-6-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The InChIKey is XSIJLGNKELHBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O3S/c1-8-7-9(2)23-13(19-8)20-14(21-23)27(24,25)22-12-10(15(16,17)18)5-4-6-11(12)26-3/h4-7,22H,1-3H3.
What are the key properties of N-[2-methoxy-6-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
N-[2-methoxy-6-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide has a molecular weight of 401.37 g/mol, XLogP of 2.57, 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]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 14152255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).