methyl 2-[[3-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]sulfamoyl]acetate

C12H12F3N3O4S — CID 67953972

IUPACmethyl 2-[[3-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]sulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)Nc1nc2cc(C(F)(F)F)ccn2c1C
InChIInChI=1S/C12H12F3N3O4S/c1-7-11(17-23(20,21)6-10(19)22-2)16-9-5-8(12(13,14)15)3-4-18(7)9/h3-5,17H,6H2,1-2H3
InChIKeyOMEYOUURIPQJEM-UHFFFAOYSA-N
MW351.31 g/mol
LogP1.58
Rot. Bonds4

About methyl 2-[[3-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]sulfamoyl]acetate

methyl 2-[[3-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]sulfamoyl]acetate (PubChem CID 67953972) has the molecular formula C12H12F3N3O4S and a molecular weight of 351.31 g/mol. Its IUPAC name is methyl 2-[[3-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]sulfamoyl]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]sulfamoyl]acetate
PubChem CID67953972
Molecular FormulaC12H12F3N3O4S
Molecular Weight351.31 g/mol
Exact Mass351.05
IUPAC Namemethyl 2-[[3-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]sulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)Nc1nc2cc(C(F)(F)F)ccn2c1C
InChIInChI=1S/C12H12F3N3O4S/c1-7-11(17-23(20,21)6-10(19)22-2)16-9-5-8(12(13,14)15)3-4-18(7)9/h3-5,17H,6H2,1-2H3
InChIKeyOMEYOUURIPQJEM-UHFFFAOYSA-N
XLogP1.58
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]sulfamoyl]acetate?
The IUPAC name of methyl 2-[[3-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]sulfamoyl]acetate (CID 67953972) is methyl 2-[[3-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]sulfamoyl]acetate.
What is the SMILES notation for methyl 2-[[3-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]sulfamoyl]acetate?
The canonical SMILES for methyl 2-[[3-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]sulfamoyl]acetate is COC(=O)CS(=O)(=O)Nc1nc2cc(C(F)(F)F)ccn2c1C.
What is the InChIKey of methyl 2-[[3-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]sulfamoyl]acetate?
The InChIKey is OMEYOUURIPQJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O4S/c1-7-11(17-23(20,21)6-10(19)22-2)16-9-5-8(12(13,14)15)3-4-18(7)9/h3-5,17H,6H2,1-2H3.
What are the key properties of methyl 2-[[3-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]sulfamoyl]acetate?
methyl 2-[[3-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]sulfamoyl]acetate has a molecular weight of 351.31 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]sulfamoyl]acetate is sourced from PubChem (CID 67953972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).