methyl 5-[[6-(trifluoromethyl)pyridazin-3-yl]sulfamoyl]furan-2-carboxylate

C11H8F3N3O5S — CID 75510600

IUPACmethyl 5-[[6-(trifluoromethyl)pyridazin-3-yl]sulfamoyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)nn2)o1
InChIInChI=1S/C11H8F3N3O5S/c1-21-10(18)6-2-5-9(22-6)23(19,20)17-8-4-3-7(15-16-8)11(12,13)14/h2-5H,1H3,(H,16,17)
InChIKeyZHNKGPUGDSYVQR-UHFFFAOYSA-N
MW351.26 g/mol
LogP1.68
Rot. Bonds4

About methyl 5-[[6-(trifluoromethyl)pyridazin-3-yl]sulfamoyl]furan-2-carboxylate

methyl 5-[[6-(trifluoromethyl)pyridazin-3-yl]sulfamoyl]furan-2-carboxylate (PubChem CID 75510600) has the molecular formula C11H8F3N3O5S and a molecular weight of 351.26 g/mol. Its IUPAC name is methyl 5-[[6-(trifluoromethyl)pyridazin-3-yl]sulfamoyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[6-(trifluoromethyl)pyridazin-3-yl]sulfamoyl]furan-2-carboxylate
PubChem CID75510600
Molecular FormulaC11H8F3N3O5S
Molecular Weight351.26 g/mol
Exact Mass351.01
IUPAC Namemethyl 5-[[6-(trifluoromethyl)pyridazin-3-yl]sulfamoyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)nn2)o1
InChIInChI=1S/C11H8F3N3O5S/c1-21-10(18)6-2-5-9(22-6)23(19,20)17-8-4-3-7(15-16-8)11(12,13)14/h2-5H,1H3,(H,16,17)
InChIKeyZHNKGPUGDSYVQR-UHFFFAOYSA-N
XLogP1.68
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[6-(trifluoromethyl)pyridazin-3-yl]sulfamoyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[6-(trifluoromethyl)pyridazin-3-yl]sulfamoyl]furan-2-carboxylate (CID 75510600) is methyl 5-[[6-(trifluoromethyl)pyridazin-3-yl]sulfamoyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[6-(trifluoromethyl)pyridazin-3-yl]sulfamoyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[6-(trifluoromethyl)pyridazin-3-yl]sulfamoyl]furan-2-carboxylate is COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)nn2)o1.
What is the InChIKey of methyl 5-[[6-(trifluoromethyl)pyridazin-3-yl]sulfamoyl]furan-2-carboxylate?
The InChIKey is ZHNKGPUGDSYVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O5S/c1-21-10(18)6-2-5-9(22-6)23(19,20)17-8-4-3-7(15-16-8)11(12,13)14/h2-5H,1H3,(H,16,17).
What are the key properties of methyl 5-[[6-(trifluoromethyl)pyridazin-3-yl]sulfamoyl]furan-2-carboxylate?
methyl 5-[[6-(trifluoromethyl)pyridazin-3-yl]sulfamoyl]furan-2-carboxylate has a molecular weight of 351.26 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[6-(trifluoromethyl)pyridazin-3-yl]sulfamoyl]furan-2-carboxylate is sourced from PubChem (CID 75510600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).