methyl 4-(furan-2-ylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylate

C13H15NO6S — CID 2742995

IUPACmethyl 4-(furan-2-ylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)NCc1ccco1
InChIInChI=1S/C13H15NO6S/c1-8-11(13(15)18-3)12(9(2)20-8)21(16,17)14-7-10-5-4-6-19-10/h4-6,14H,7H2,1-3H3
InChIKeyVPXJZYTTZFJEDJ-UHFFFAOYSA-N
MW313.33 g/mol
LogP1.75
Rot. Bonds5

About methyl 4-(furan-2-ylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylate

methyl 4-(furan-2-ylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylate (PubChem CID 2742995) has the molecular formula C13H15NO6S and a molecular weight of 313.33 g/mol. Its IUPAC name is methyl 4-(furan-2-ylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(furan-2-ylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylate
PubChem CID2742995
Molecular FormulaC13H15NO6S
Molecular Weight313.33 g/mol
Exact Mass313.06
IUPAC Namemethyl 4-(furan-2-ylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(C)c1S(=O)(=O)NCc1ccco1
InChIInChI=1S/C13H15NO6S/c1-8-11(13(15)18-3)12(9(2)20-8)21(16,17)14-7-10-5-4-6-19-10/h4-6,14H,7H2,1-3H3
InChIKeyVPXJZYTTZFJEDJ-UHFFFAOYSA-N
XLogP1.75
TPSA98.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(furan-2-ylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylate?
The IUPAC name of methyl 4-(furan-2-ylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylate (CID 2742995) is methyl 4-(furan-2-ylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for methyl 4-(furan-2-ylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for methyl 4-(furan-2-ylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylate is COC(=O)c1c(C)oc(C)c1S(=O)(=O)NCc1ccco1.
What is the InChIKey of methyl 4-(furan-2-ylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylate?
The InChIKey is VPXJZYTTZFJEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO6S/c1-8-11(13(15)18-3)12(9(2)20-8)21(16,17)14-7-10-5-4-6-19-10/h4-6,14H,7H2,1-3H3.
What are the key properties of methyl 4-(furan-2-ylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylate?
methyl 4-(furan-2-ylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylate has a molecular weight of 313.33 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(furan-2-ylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 2742995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).