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

C12H14N2O5S — CID 20938618

IUPACmethyl 4-[2-(furan-2-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCc2ccco2)c[nH]1
InChIInChI=1S/C12H14N2O5S/c1-18-12(15)11-7-10(8-13-11)20(16,17)14-5-4-9-3-2-6-19-9/h2-3,6-8,13-14H,4-5H2,1H3
InChIKeySXBYWXGKUDXJNY-UHFFFAOYSA-N
MW298.32 g/mol
LogP0.92
Rot. Bonds6

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

methyl 4-[2-(furan-2-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate (PubChem CID 20938618) has the molecular formula C12H14N2O5S and a molecular weight of 298.32 g/mol. Its IUPAC name is methyl 4-[2-(furan-2-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(furan-2-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate
PubChem CID20938618
Molecular FormulaC12H14N2O5S
Molecular Weight298.32 g/mol
Exact Mass298.06
IUPAC Namemethyl 4-[2-(furan-2-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)NCCc2ccco2)c[nH]1
InChIInChI=1S/C12H14N2O5S/c1-18-12(15)11-7-10(8-13-11)20(16,17)14-5-4-9-3-2-6-19-9/h2-3,6-8,13-14H,4-5H2,1H3
InChIKeySXBYWXGKUDXJNY-UHFFFAOYSA-N
XLogP0.92
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-[(3-methoxyphenyl)sulfamoyl]-1-methyl-1H-pyrrole-2-carboxylate
CID 22515725
methyl 4-({[3-(2-furyl)propyl]amino}sulfonyl)-1H-pyrrole-2-carboxylate
CID 20938619
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
5-(Furan-2-ylmethylsulfamoyl)-1-methylpyrrole-2-carboxylic acid
CID 2810321
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18120037

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(furan-2-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-[2-(furan-2-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate (CID 20938618) is methyl 4-[2-(furan-2-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[2-(furan-2-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[2-(furan-2-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)NCCc2ccco2)c[nH]1.
What is the InChIKey of methyl 4-[2-(furan-2-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate?
The InChIKey is SXBYWXGKUDXJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5S/c1-18-12(15)11-7-10(8-13-11)20(16,17)14-5-4-9-3-2-6-19-9/h2-3,6-8,13-14H,4-5H2,1H3.
What are the key properties of methyl 4-[2-(furan-2-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate?
methyl 4-[2-(furan-2-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate has a molecular weight of 298.32 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(furan-2-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 20938618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).