methyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylate

C12H14N2O5S — CID 22552125

IUPACmethyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)N(C)Cc2ccco2)c[nH]1
InChIInChI=1S/C12H14N2O5S/c1-14(8-9-4-3-5-19-9)20(16,17)10-6-11(13-7-10)12(15)18-2/h3-7,13H,8H2,1-2H3
InChIKeyLRWDUVKQQBGHNR-UHFFFAOYSA-N
MW298.32 g/mol
LogP1.22
Rot. Bonds5

About methyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylate

methyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylate (PubChem CID 22552125) has the molecular formula C12H14N2O5S and a molecular weight of 298.32 g/mol. Its IUPAC name is methyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylate
PubChem CID22552125
Molecular FormulaC12H14N2O5S
Molecular Weight298.32 g/mol
Exact Mass298.06
IUPAC Namemethyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)N(C)Cc2ccco2)c[nH]1
InChIInChI=1S/C12H14N2O5S/c1-14(8-9-4-3-5-19-9)20(16,17)10-6-11(13-7-10)12(15)18-2/h3-7,13H,8H2,1-2H3
InChIKeyLRWDUVKQQBGHNR-UHFFFAOYSA-N
XLogP1.22
TPSA92.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylate (CID 22552125) is methyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccco2)c[nH]1.
What is the InChIKey of methyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
The InChIKey is LRWDUVKQQBGHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5S/c1-14(8-9-4-3-5-19-9)20(16,17)10-6-11(13-7-10)12(15)18-2/h3-7,13H,8H2,1-2H3.
What are the key properties of methyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
methyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylate has a molecular weight of 298.32 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 22552125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).