3-ethenyl-1-methyl-4-sulfamoylpyrrole-2-carboxylic acid

C8H10N2O4S — CID 163846396

IUPAC3-ethenyl-1-methyl-4-sulfamoylpyrrole-2-carboxylic acid
SMILESC=Cc1c(S(N)(=O)=O)cn(C)c1C(=O)O
InChIInChI=1S/C8H10N2O4S/c1-3-5-6(15(9,13)14)4-10(2)7(5)8(11)12/h3-4H,1H2,2H3,(H,11,12)(H2,9,13,14)
InChIKeyOQNONEAFHADDLS-UHFFFAOYSA-N
MW230.24 g/mol
LogP0.01
Rot. Bonds3

About 3-ethenyl-1-methyl-4-sulfamoylpyrrole-2-carboxylic acid

3-ethenyl-1-methyl-4-sulfamoylpyrrole-2-carboxylic acid (PubChem CID 163846396) has the molecular formula C8H10N2O4S and a molecular weight of 230.24 g/mol. Its IUPAC name is 3-ethenyl-1-methyl-4-sulfamoylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-ethenyl-1-methyl-4-sulfamoylpyrrole-2-carboxylic acid
PubChem CID163846396
Molecular FormulaC8H10N2O4S
Molecular Weight230.24 g/mol
Exact Mass230.04
IUPAC Name3-ethenyl-1-methyl-4-sulfamoylpyrrole-2-carboxylic acid
SMILESC=Cc1c(S(N)(=O)=O)cn(C)c1C(=O)O
InChIInChI=1S/C8H10N2O4S/c1-3-5-6(15(9,13)14)4-10(2)7(5)8(11)12/h3-4H,1H2,2H3,(H,11,12)(H2,9,13,14)
InChIKeyOQNONEAFHADDLS-UHFFFAOYSA-N
XLogP0.01
TPSA102.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1-methyl-4-sulfamoylpyrrole-2-carboxylic acid?
The IUPAC name of 3-ethenyl-1-methyl-4-sulfamoylpyrrole-2-carboxylic acid (CID 163846396) is 3-ethenyl-1-methyl-4-sulfamoylpyrrole-2-carboxylic acid.
What is the SMILES notation for 3-ethenyl-1-methyl-4-sulfamoylpyrrole-2-carboxylic acid?
The canonical SMILES for 3-ethenyl-1-methyl-4-sulfamoylpyrrole-2-carboxylic acid is C=Cc1c(S(N)(=O)=O)cn(C)c1C(=O)O.
What is the InChIKey of 3-ethenyl-1-methyl-4-sulfamoylpyrrole-2-carboxylic acid?
The InChIKey is OQNONEAFHADDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S/c1-3-5-6(15(9,13)14)4-10(2)7(5)8(11)12/h3-4H,1H2,2H3,(H,11,12)(H2,9,13,14).
What are the key properties of 3-ethenyl-1-methyl-4-sulfamoylpyrrole-2-carboxylic acid?
3-ethenyl-1-methyl-4-sulfamoylpyrrole-2-carboxylic acid has a molecular weight of 230.24 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-methyl-4-sulfamoylpyrrole-2-carboxylic acid is sourced from PubChem (CID 163846396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).