7-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide

C12H8F3N5O3S — CID 141047966

IUPAC7-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
SMILESCOc1nc(-c2c(F)cccc2F)c(F)c2nc(S(N)(=O)=O)nn12
InChIInChI=1S/C12H8F3N5O3S/c1-23-12-17-9(7-5(13)3-2-4-6(7)14)8(15)10-18-11(19-20(10)12)24(16,21)22/h2-4H,1H3,(H2,16,21,22)
InChIKeyUCPFOJAILRFVAZ-UHFFFAOYSA-N
MW359.29 g/mol
LogP0.86
Rot. Bonds3

About 7-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide

7-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide (PubChem CID 141047966) has the molecular formula C12H8F3N5O3S and a molecular weight of 359.29 g/mol. Its IUPAC name is 7-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide.

Molecular Properties

Compound Name7-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
PubChem CID141047966
Molecular FormulaC12H8F3N5O3S
Molecular Weight359.29 g/mol
Exact Mass359.03
IUPAC Name7-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
SMILESCOc1nc(-c2c(F)cccc2F)c(F)c2nc(S(N)(=O)=O)nn12
InChIInChI=1S/C12H8F3N5O3S/c1-23-12-17-9(7-5(13)3-2-4-6(7)14)8(15)10-18-11(19-20(10)12)24(16,21)22/h2-4H,1H3,(H2,16,21,22)
InChIKeyUCPFOJAILRFVAZ-UHFFFAOYSA-N
XLogP0.86
TPSA112.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.29
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?
The IUPAC name of 7-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide (CID 141047966) is 7-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide.
What is the SMILES notation for 7-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?
The canonical SMILES for 7-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide is COc1nc(-c2c(F)cccc2F)c(F)c2nc(S(N)(=O)=O)nn12.
What is the InChIKey of 7-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?
The InChIKey is UCPFOJAILRFVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N5O3S/c1-23-12-17-9(7-5(13)3-2-4-6(7)14)8(15)10-18-11(19-20(10)12)24(16,21)22/h2-4H,1H3,(H2,16,21,22).
What are the key properties of 7-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?
7-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide has a molecular weight of 359.29 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide is sourced from PubChem (CID 141047966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).