4-[[1-(furan-2-yl)-2-methoxyethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid

C12H14N2O6S — CID 167839344

IUPAC4-[[1-(furan-2-yl)-2-methoxyethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCOCC(NS(=O)(=O)c1c[nH]c(C(=O)O)c1)c1ccco1
InChIInChI=1S/C12H14N2O6S/c1-19-7-10(11-3-2-4-20-11)14-21(17,18)8-5-9(12(15)16)13-6-8/h2-6,10,13-14H,7H2,1H3,(H,15,16)
InChIKeyUINLLZPAZXGWBU-UHFFFAOYSA-N
MW314.32 g/mol
LogP0.97
Rot. Bonds7

About 4-[[1-(furan-2-yl)-2-methoxyethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid

4-[[1-(furan-2-yl)-2-methoxyethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 167839344) has the molecular formula C12H14N2O6S and a molecular weight of 314.32 g/mol. Its IUPAC name is 4-[[1-(furan-2-yl)-2-methoxyethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(furan-2-yl)-2-methoxyethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID167839344
Molecular FormulaC12H14N2O6S
Molecular Weight314.32 g/mol
Exact Mass314.06
IUPAC Name4-[[1-(furan-2-yl)-2-methoxyethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCOCC(NS(=O)(=O)c1c[nH]c(C(=O)O)c1)c1ccco1
InChIInChI=1S/C12H14N2O6S/c1-19-7-10(11-3-2-4-20-11)14-21(17,18)8-5-9(12(15)16)13-6-8/h2-6,10,13-14H,7H2,1H3,(H,15,16)
InChIKeyUINLLZPAZXGWBU-UHFFFAOYSA-N
XLogP0.97
TPSA121.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(furan-2-yl)-2-methoxyethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[[1-(furan-2-yl)-2-methoxyethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 167839344) is 4-[[1-(furan-2-yl)-2-methoxyethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[[1-(furan-2-yl)-2-methoxyethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[[1-(furan-2-yl)-2-methoxyethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid is COCC(NS(=O)(=O)c1c[nH]c(C(=O)O)c1)c1ccco1.
What is the InChIKey of 4-[[1-(furan-2-yl)-2-methoxyethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is UINLLZPAZXGWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O6S/c1-19-7-10(11-3-2-4-20-11)14-21(17,18)8-5-9(12(15)16)13-6-8/h2-6,10,13-14H,7H2,1H3,(H,15,16).
What are the key properties of 4-[[1-(furan-2-yl)-2-methoxyethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid?
4-[[1-(furan-2-yl)-2-methoxyethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 314.32 g/mol, XLogP of 0.97, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(furan-2-yl)-2-methoxyethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 167839344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).