methyl 5-(furan-2-ylmethylsulfamoyl)furan-2-carboxylate

C11H11NO6S — CID 2743003

IUPACmethyl 5-(furan-2-ylmethylsulfamoyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCc2ccco2)o1
InChIInChI=1S/C11H11NO6S/c1-16-11(13)9-4-5-10(18-9)19(14,15)12-7-8-3-2-6-17-8/h2-6,12H,7H2,1H3
InChIKeySLDLJKDOLWFJNZ-UHFFFAOYSA-N
MW285.28 g/mol
LogP1.14
Rot. Bonds5

About methyl 5-(furan-2-ylmethylsulfamoyl)furan-2-carboxylate

methyl 5-(furan-2-ylmethylsulfamoyl)furan-2-carboxylate (PubChem CID 2743003) has the molecular formula C11H11NO6S and a molecular weight of 285.28 g/mol. Its IUPAC name is methyl 5-(furan-2-ylmethylsulfamoyl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(furan-2-ylmethylsulfamoyl)furan-2-carboxylate
PubChem CID2743003
Molecular FormulaC11H11NO6S
Molecular Weight285.28 g/mol
Exact Mass285.03
IUPAC Namemethyl 5-(furan-2-ylmethylsulfamoyl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCc2ccco2)o1
InChIInChI=1S/C11H11NO6S/c1-16-11(13)9-4-5-10(18-9)19(14,15)12-7-8-3-2-6-17-8/h2-6,12H,7H2,1H3
InChIKeySLDLJKDOLWFJNZ-UHFFFAOYSA-N
XLogP1.14
TPSA98.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(furan-2-ylmethylsulfamoyl)furan-2-carboxylate?
The IUPAC name of methyl 5-(furan-2-ylmethylsulfamoyl)furan-2-carboxylate (CID 2743003) is methyl 5-(furan-2-ylmethylsulfamoyl)furan-2-carboxylate.
What is the SMILES notation for methyl 5-(furan-2-ylmethylsulfamoyl)furan-2-carboxylate?
The canonical SMILES for methyl 5-(furan-2-ylmethylsulfamoyl)furan-2-carboxylate is COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)o1.
What is the InChIKey of methyl 5-(furan-2-ylmethylsulfamoyl)furan-2-carboxylate?
The InChIKey is SLDLJKDOLWFJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO6S/c1-16-11(13)9-4-5-10(18-9)19(14,15)12-7-8-3-2-6-17-8/h2-6,12H,7H2,1H3.
What are the key properties of methyl 5-(furan-2-ylmethylsulfamoyl)furan-2-carboxylate?
methyl 5-(furan-2-ylmethylsulfamoyl)furan-2-carboxylate has a molecular weight of 285.28 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(furan-2-ylmethylsulfamoyl)furan-2-carboxylate is sourced from PubChem (CID 2743003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).