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

C14H12F3N5O2S — CID 14155130

IUPAC5,7-dimethyl-N-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCc1cc(C)n2nc(S(=O)(=O)Nc3ccccc3C(F)(F)F)nc2n1
InChIInChI=1S/C14H12F3N5O2S/c1-8-7-9(2)22-12(18-8)19-13(20-22)25(23,24)21-11-6-4-3-5-10(11)14(15,16)17/h3-7,21H,1-2H3
InChIKeyHRNJXHMPIVCESU-UHFFFAOYSA-N
MW371.34 g/mol
LogP2.56
Rot. Bonds3

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

5,7-dimethyl-N-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (PubChem CID 14155130) has the molecular formula C14H12F3N5O2S and a molecular weight of 371.34 g/mol. Its IUPAC name is 5,7-dimethyl-N-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound Name5,7-dimethyl-N-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
PubChem CID14155130
Molecular FormulaC14H12F3N5O2S
Molecular Weight371.34 g/mol
Exact Mass371.07
IUPAC Name5,7-dimethyl-N-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCc1cc(C)n2nc(S(=O)(=O)Nc3ccccc3C(F)(F)F)nc2n1
InChIInChI=1S/C14H12F3N5O2S/c1-8-7-9(2)22-12(18-8)19-13(20-22)25(23,24)21-11-6-4-3-5-10(11)14(15,16)17/h3-7,21H,1-2H3
InChIKeyHRNJXHMPIVCESU-UHFFFAOYSA-N
XLogP2.56
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The IUPAC name of 5,7-dimethyl-N-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (CID 14155130) is 5,7-dimethyl-N-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for 5,7-dimethyl-N-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The canonical SMILES for 5,7-dimethyl-N-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is Cc1cc(C)n2nc(S(=O)(=O)Nc3ccccc3C(F)(F)F)nc2n1.
What is the InChIKey of 5,7-dimethyl-N-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The InChIKey is HRNJXHMPIVCESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5O2S/c1-8-7-9(2)22-12(18-8)19-13(20-22)25(23,24)21-11-6-4-3-5-10(11)14(15,16)17/h3-7,21H,1-2H3.
What are the key properties of 5,7-dimethyl-N-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
5,7-dimethyl-N-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide has a molecular weight of 371.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 14155130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).