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

C13H10F3N5O3S — CID 14152253

IUPACN-[2-methoxy-6-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCOc1cccc(C(F)(F)F)c1NS(=O)(=O)c1nc2ncccn2n1
InChIInChI=1S/C13H10F3N5O3S/c1-24-9-5-2-4-8(13(14,15)16)10(9)20-25(22,23)12-18-11-17-6-3-7-21(11)19-12/h2-7,20H,1H3
InChIKeyYPCNJWAMUASZJJ-UHFFFAOYSA-N
MW373.32 g/mol
LogP1.95
Rot. Bonds4

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

N-[2-methoxy-6-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (PubChem CID 14152253) has the molecular formula C13H10F3N5O3S and a molecular weight of 373.32 g/mol. Its IUPAC name is N-[2-methoxy-6-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-6-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
PubChem CID14152253
Molecular FormulaC13H10F3N5O3S
Molecular Weight373.32 g/mol
Exact Mass373.05
IUPAC NameN-[2-methoxy-6-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCOc1cccc(C(F)(F)F)c1NS(=O)(=O)c1nc2ncccn2n1
InChIInChI=1S/C13H10F3N5O3S/c1-24-9-5-2-4-8(13(14,15)16)10(9)20-25(22,23)12-18-11-17-6-3-7-21(11)19-12/h2-7,20H,1H3
InChIKeyYPCNJWAMUASZJJ-UHFFFAOYSA-N
XLogP1.95
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.32
LogP ≤ 51.95
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]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The IUPAC name of N-[2-methoxy-6-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (CID 14152253) is N-[2-methoxy-6-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for N-[2-methoxy-6-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The canonical SMILES for N-[2-methoxy-6-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is COc1cccc(C(F)(F)F)c1NS(=O)(=O)c1nc2ncccn2n1.
What is the InChIKey of N-[2-methoxy-6-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The InChIKey is YPCNJWAMUASZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5O3S/c1-24-9-5-2-4-8(13(14,15)16)10(9)20-25(22,23)12-18-11-17-6-3-7-21(11)19-12/h2-7,20H,1H3.
What are the key properties of N-[2-methoxy-6-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
N-[2-methoxy-6-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide has a molecular weight of 373.32 g/mol, XLogP of 1.95, 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]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 14152253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).