methyl 4-[3-(furan-2-yl)propylsulfamoyl]-1H-pyrrole-2-carboxylate

C13H16N2O5S — CID 20938619

IUPACmethyl 4-[3-(furan-2-yl)propylsulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCCc2ccco2)c[nH]1
InChIInChI=1S/C13H16N2O5S/c1-19-13(16)12-8-11(9-14-12)21(17,18)15-6-2-4-10-5-3-7-20-10/h3,5,7-9,14-15H,2,4,6H2,1H3
InChIKeyKDSLYPGZYBWFCH-UHFFFAOYSA-N
MW312.35 g/mol
LogP1.31
Rot. Bonds7

About methyl 4-[3-(furan-2-yl)propylsulfamoyl]-1H-pyrrole-2-carboxylate

methyl 4-[3-(furan-2-yl)propylsulfamoyl]-1H-pyrrole-2-carboxylate (PubChem CID 20938619) has the molecular formula C13H16N2O5S and a molecular weight of 312.35 g/mol. Its IUPAC name is methyl 4-[3-(furan-2-yl)propylsulfamoyl]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[3-(furan-2-yl)propylsulfamoyl]-1H-pyrrole-2-carboxylate
PubChem CID20938619
Molecular FormulaC13H16N2O5S
Molecular Weight312.35 g/mol
Exact Mass312.08
IUPAC Namemethyl 4-[3-(furan-2-yl)propylsulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCCc2ccco2)c[nH]1
InChIInChI=1S/C13H16N2O5S/c1-19-13(16)12-8-11(9-14-12)21(17,18)15-6-2-4-10-5-3-7-20-10/h3,5,7-9,14-15H,2,4,6H2,1H3
InChIKeyKDSLYPGZYBWFCH-UHFFFAOYSA-N
XLogP1.31
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 5-{[(2-furylmethyl)amino]sulfonyl}-1-methyl-1H-pyrrole-2-carboxylate
CID 2810312
Methyl 4-{[(furan-2-YL)methyl](methyl)sulfamoyl}-1H-pyrrole-2-carboxylate
CID 22552125
Ethyl 4-(furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 20969589
methyl 4-{[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl}-1H-pyrrole-2-carboxylate
CID 16018670
ethyl 4-[furan-2-ylmethyl(methyl)sulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20923417
Methyl 4-[(4-ethoxyphenyl)(methyl)sulfamoyl]-1H-pyrrole-2-carboxylate
CID 20938586
methyl 4-[(2-ethoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate
CID 22552072
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 2394658
Methyl 4-{butyl[(furan-2-YL)methyl]sulfamoyl}-1H-pyrrole-2-carboxylate
CID 20938596
N,N-dimethyl-5-[[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]furan-2-sulfonamide
CID 47056528
methyl 4-[(4-methoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate
CID 6625855
Methyl 4-{[(oxolan-2-YL)methyl]sulfamoyl}-1H-pyrrole-2-carboxylate
CID 6625943

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(furan-2-yl)propylsulfamoyl]-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-[3-(furan-2-yl)propylsulfamoyl]-1H-pyrrole-2-carboxylate (CID 20938619) is methyl 4-[3-(furan-2-yl)propylsulfamoyl]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[3-(furan-2-yl)propylsulfamoyl]-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[3-(furan-2-yl)propylsulfamoyl]-1H-pyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)NCCCc2ccco2)c[nH]1.
What is the InChIKey of methyl 4-[3-(furan-2-yl)propylsulfamoyl]-1H-pyrrole-2-carboxylate?
The InChIKey is KDSLYPGZYBWFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5S/c1-19-13(16)12-8-11(9-14-12)21(17,18)15-6-2-4-10-5-3-7-20-10/h3,5,7-9,14-15H,2,4,6H2,1H3.
What are the key properties of methyl 4-[3-(furan-2-yl)propylsulfamoyl]-1H-pyrrole-2-carboxylate?
methyl 4-[3-(furan-2-yl)propylsulfamoyl]-1H-pyrrole-2-carboxylate has a molecular weight of 312.35 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(furan-2-yl)propylsulfamoyl]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 20938619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).