N-(4-bromo-1-methylpyrazol-5-yl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide

C11H11BrFN7O3S — CID 23303913

IUPACN-(4-bromo-1-methylpyrazol-5-yl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
SMILESCCOc1nc(F)cc2nc(S(=O)(=O)Nc3c(Br)cnn3C)nn12
InChIInChI=1S/C11H11BrFN7O3S/c1-3-23-11-15-7(13)4-8-16-10(17-20(8)11)24(21,22)18-9-6(12)5-14-19(9)2/h4-5,18H,3H2,1-2H3
InChIKeyWVBSVMZPWBVHBM-UHFFFAOYSA-N
MW420.22 g/mol
LogP0.96
Rot. Bonds5

About N-(4-bromo-1-methylpyrazol-5-yl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide

N-(4-bromo-1-methylpyrazol-5-yl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide (PubChem CID 23303913) has the molecular formula C11H11BrFN7O3S and a molecular weight of 420.22 g/mol. Its IUPAC name is N-(4-bromo-1-methylpyrazol-5-yl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-1-methylpyrazol-5-yl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
PubChem CID23303913
Molecular FormulaC11H11BrFN7O3S
Molecular Weight420.22 g/mol
Exact Mass418.98
IUPAC NameN-(4-bromo-1-methylpyrazol-5-yl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
SMILESCCOc1nc(F)cc2nc(S(=O)(=O)Nc3c(Br)cnn3C)nn12
InChIInChI=1S/C11H11BrFN7O3S/c1-3-23-11-15-7(13)4-8-16-10(17-20(8)11)24(21,22)18-9-6(12)5-14-19(9)2/h4-5,18H,3H2,1-2H3
InChIKeyWVBSVMZPWBVHBM-UHFFFAOYSA-N
XLogP0.96
TPSA116.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.22
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-1-methylpyrazol-5-yl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?
The IUPAC name of N-(4-bromo-1-methylpyrazol-5-yl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide (CID 23303913) is N-(4-bromo-1-methylpyrazol-5-yl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide.
What is the SMILES notation for N-(4-bromo-1-methylpyrazol-5-yl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?
The canonical SMILES for N-(4-bromo-1-methylpyrazol-5-yl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide is CCOc1nc(F)cc2nc(S(=O)(=O)Nc3c(Br)cnn3C)nn12.
What is the InChIKey of N-(4-bromo-1-methylpyrazol-5-yl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?
The InChIKey is WVBSVMZPWBVHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN7O3S/c1-3-23-11-15-7(13)4-8-16-10(17-20(8)11)24(21,22)18-9-6(12)5-14-19(9)2/h4-5,18H,3H2,1-2H3.
What are the key properties of N-(4-bromo-1-methylpyrazol-5-yl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?
N-(4-bromo-1-methylpyrazol-5-yl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide has a molecular weight of 420.22 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-1-methylpyrazol-5-yl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide is sourced from PubChem (CID 23303913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).