1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxylic acid

C8H12N2O5S — CID 114612786

IUPAC1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxylic acid
SMILESCOCCn1cc(S(N)(=O)=O)cc1C(=O)O
InChIInChI=1S/C8H12N2O5S/c1-15-3-2-10-5-6(16(9,13)14)4-7(10)8(11)12/h4-5H,2-3H2,1H3,(H,11,12)(H2,9,13,14)
InChIKeyGEQCKCQFYSSHHQ-UHFFFAOYSA-N
MW248.26 g/mol
LogP-0.52
Rot. Bonds5

About 1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxylic acid

1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxylic acid (PubChem CID 114612786) has the molecular formula C8H12N2O5S and a molecular weight of 248.26 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxylic acid
PubChem CID114612786
Molecular FormulaC8H12N2O5S
Molecular Weight248.26 g/mol
Exact Mass248.05
IUPAC Name1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxylic acid
SMILESCOCCn1cc(S(N)(=O)=O)cc1C(=O)O
InChIInChI=1S/C8H12N2O5S/c1-15-3-2-10-5-6(16(9,13)14)4-7(10)8(11)12/h4-5H,2-3H2,1H3,(H,11,12)(H2,9,13,14)
InChIKeyGEQCKCQFYSSHHQ-UHFFFAOYSA-N
XLogP-0.52
TPSA111.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxylic acid?
The IUPAC name of 1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxylic acid (CID 114612786) is 1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxylic acid?
The canonical SMILES for 1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxylic acid is COCCn1cc(S(N)(=O)=O)cc1C(=O)O.
What is the InChIKey of 1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxylic acid?
The InChIKey is GEQCKCQFYSSHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O5S/c1-15-3-2-10-5-6(16(9,13)14)4-7(10)8(11)12/h4-5H,2-3H2,1H3,(H,11,12)(H2,9,13,14).
What are the key properties of 1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxylic acid?
1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxylic acid has a molecular weight of 248.26 g/mol, XLogP of -0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-sulfamoylpyrrole-2-carboxylic acid is sourced from PubChem (CID 114612786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).