N-(2,6-difluoro-3-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

C13H11F2N5O2S — CID 14155279

IUPACN-(2,6-difluoro-3-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCc1ccn2nc(S(=O)(=O)Nc3c(F)ccc(C)c3F)nc2n1
InChIInChI=1S/C13H11F2N5O2S/c1-7-3-4-9(14)11(10(7)15)19-23(21,22)13-17-12-16-8(2)5-6-20(12)18-13/h3-6,19H,1-2H3
InChIKeyCUOKYGZANBXFKR-UHFFFAOYSA-N
MW339.33 g/mol
LogP1.82
Rot. Bonds3

About N-(2,6-difluoro-3-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

N-(2,6-difluoro-3-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (PubChem CID 14155279) has the molecular formula C13H11F2N5O2S and a molecular weight of 339.33 g/mol. Its IUPAC name is N-(2,6-difluoro-3-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound NameN-(2,6-difluoro-3-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
PubChem CID14155279
Molecular FormulaC13H11F2N5O2S
Molecular Weight339.33 g/mol
Exact Mass339.06
IUPAC NameN-(2,6-difluoro-3-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCc1ccn2nc(S(=O)(=O)Nc3c(F)ccc(C)c3F)nc2n1
InChIInChI=1S/C13H11F2N5O2S/c1-7-3-4-9(14)11(10(7)15)19-23(21,22)13-17-12-16-8(2)5-6-20(12)18-13/h3-6,19H,1-2H3
InChIKeyCUOKYGZANBXFKR-UHFFFAOYSA-N
XLogP1.82
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The IUPAC name of N-(2,6-difluoro-3-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (CID 14155279) is N-(2,6-difluoro-3-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for N-(2,6-difluoro-3-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The canonical SMILES for N-(2,6-difluoro-3-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is Cc1ccn2nc(S(=O)(=O)Nc3c(F)ccc(C)c3F)nc2n1.
What is the InChIKey of N-(2,6-difluoro-3-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The InChIKey is CUOKYGZANBXFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N5O2S/c1-7-3-4-9(14)11(10(7)15)19-23(21,22)13-17-12-16-8(2)5-6-20(12)18-13/h3-6,19H,1-2H3.
What are the key properties of N-(2,6-difluoro-3-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
N-(2,6-difluoro-3-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide has a molecular weight of 339.33 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 14155279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).