methyl 4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate

C19H21N3O5S — CID 112846167

IUPACmethyl 4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cccc(-n2nc(C)cc2C)c1
InChIInChI=1S/C19H21N3O5S/c1-11-9-12(2)22(20-11)16-8-6-7-15(10-16)21-28(24,25)18-14(4)27-13(3)17(18)19(23)26-5/h6-10,21H,1-5H3
InChIKeyLVTUYJCLQWOLOZ-UHFFFAOYSA-N
MW403.46 g/mol
LogP3.29
Rot. Bonds5

About methyl 4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate

methyl 4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate (PubChem CID 112846167) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is methyl 4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate
PubChem CID112846167
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC Namemethyl 4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cccc(-n2nc(C)cc2C)c1
InChIInChI=1S/C19H21N3O5S/c1-11-9-12(2)22(20-11)16-8-6-7-15(10-16)21-28(24,25)18-14(4)27-13(3)17(18)19(23)26-5/h6-10,21H,1-5H3
InChIKeyLVTUYJCLQWOLOZ-UHFFFAOYSA-N
XLogP3.29
TPSA103.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
The IUPAC name of methyl 4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate (CID 112846167) is methyl 4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for methyl 4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for methyl 4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate is COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cccc(-n2nc(C)cc2C)c1.
What is the InChIKey of methyl 4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
The InChIKey is LVTUYJCLQWOLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-11-9-12(2)22(20-11)16-8-6-7-15(10-16)21-28(24,25)18-14(4)27-13(3)17(18)19(23)26-5/h6-10,21H,1-5H3.
What are the key properties of methyl 4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate?
methyl 4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate has a molecular weight of 403.46 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 112846167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).