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

C14H12F3N5O3S — CID 14155280

IUPACN-[2-methoxy-6-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCOc1cccc(C(F)(F)F)c1NS(=O)(=O)c1nc2nc(C)ccn2n1
InChIInChI=1S/C14H12F3N5O3S/c1-8-6-7-22-12(18-8)19-13(20-22)26(23,24)21-11-9(14(15,16)17)4-3-5-10(11)25-2/h3-7,21H,1-2H3
InChIKeyYTFCKRBYCCSQID-UHFFFAOYSA-N
MW387.34 g/mol
LogP2.26
Rot. Bonds4

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

N-[2-methoxy-6-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (PubChem CID 14155280) has the molecular formula C14H12F3N5O3S and a molecular weight of 387.34 g/mol. Its IUPAC name is N-[2-methoxy-6-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-6-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
PubChem CID14155280
Molecular FormulaC14H12F3N5O3S
Molecular Weight387.34 g/mol
Exact Mass387.06
IUPAC NameN-[2-methoxy-6-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCOc1cccc(C(F)(F)F)c1NS(=O)(=O)c1nc2nc(C)ccn2n1
InChIInChI=1S/C14H12F3N5O3S/c1-8-6-7-22-12(18-8)19-13(20-22)26(23,24)21-11-9(14(15,16)17)4-3-5-10(11)25-2/h3-7,21H,1-2H3
InChIKeyYTFCKRBYCCSQID-UHFFFAOYSA-N
XLogP2.26
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.34
LogP ≤ 52.26
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-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The IUPAC name of N-[2-methoxy-6-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (CID 14155280) is N-[2-methoxy-6-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for N-[2-methoxy-6-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The canonical SMILES for N-[2-methoxy-6-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is COc1cccc(C(F)(F)F)c1NS(=O)(=O)c1nc2nc(C)ccn2n1.
What is the InChIKey of N-[2-methoxy-6-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The InChIKey is YTFCKRBYCCSQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5O3S/c1-8-6-7-22-12(18-8)19-13(20-22)26(23,24)21-11-9(14(15,16)17)4-3-5-10(11)25-2/h3-7,21H,1-2H3.
What are the key properties of N-[2-methoxy-6-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
N-[2-methoxy-6-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide has a molecular weight of 387.34 g/mol, XLogP of 2.26, 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-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 14155280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).