methyl 4-[2-(furan-2-yl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylate

C13H16N2O5S — CID 20938665

IUPACmethyl 4-[2-(furan-2-yl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCc2ccco2)cn1C
InChIInChI=1S/C13H16N2O5S/c1-15-9-11(8-12(15)13(16)19-2)21(17,18)14-6-5-10-4-3-7-20-10/h3-4,7-9,14H,5-6H2,1-2H3
InChIKeyUHHQJEAUDCXVME-UHFFFAOYSA-N
MW312.35 g/mol
LogP0.93
Rot. Bonds6

About methyl 4-[2-(furan-2-yl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylate

methyl 4-[2-(furan-2-yl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylate (PubChem CID 20938665) has the molecular formula C13H16N2O5S and a molecular weight of 312.35 g/mol. Its IUPAC name is methyl 4-[2-(furan-2-yl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(furan-2-yl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylate
PubChem CID20938665
Molecular FormulaC13H16N2O5S
Molecular Weight312.35 g/mol
Exact Mass312.08
IUPAC Namemethyl 4-[2-(furan-2-yl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCc2ccco2)cn1C
InChIInChI=1S/C13H16N2O5S/c1-15-9-11(8-12(15)13(16)19-2)21(17,18)14-6-5-10-4-3-7-20-10/h3-4,7-9,14H,5-6H2,1-2H3
InChIKeyUHHQJEAUDCXVME-UHFFFAOYSA-N
XLogP0.93
TPSA90.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(furan-2-yl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylate?
The IUPAC name of methyl 4-[2-(furan-2-yl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylate (CID 20938665) is methyl 4-[2-(furan-2-yl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[2-(furan-2-yl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[2-(furan-2-yl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)NCCc2ccco2)cn1C.
What is the InChIKey of methyl 4-[2-(furan-2-yl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylate?
The InChIKey is UHHQJEAUDCXVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5S/c1-15-9-11(8-12(15)13(16)19-2)21(17,18)14-6-5-10-4-3-7-20-10/h3-4,7-9,14H,5-6H2,1-2H3.
What are the key properties of methyl 4-[2-(furan-2-yl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylate?
methyl 4-[2-(furan-2-yl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylate has a molecular weight of 312.35 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(furan-2-yl)ethylsulfamoyl]-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 20938665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).