1-methyl-4-[methyl(pyridin-2-yl)sulfamoyl]pyrrole-2-carboxylic acid

C12H13N3O4S — CID 28740672

IUPAC1-methyl-4-[methyl(pyridin-2-yl)sulfamoyl]pyrrole-2-carboxylic acid
SMILESCN(c1ccccn1)S(=O)(=O)c1cc(C(=O)O)n(C)c1
InChIInChI=1S/C12H13N3O4S/c1-14-8-9(7-10(14)12(16)17)20(18,19)15(2)11-5-3-4-6-13-11/h3-8H,1-2H3,(H,16,17)
InChIKeyOWOWYKVGOHVXMN-UHFFFAOYSA-N
MW295.32 g/mol
LogP0.94
Rot. Bonds4

About 1-methyl-4-[methyl(pyridin-2-yl)sulfamoyl]pyrrole-2-carboxylic acid

1-methyl-4-[methyl(pyridin-2-yl)sulfamoyl]pyrrole-2-carboxylic acid (PubChem CID 28740672) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is 1-methyl-4-[methyl(pyridin-2-yl)sulfamoyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-[methyl(pyridin-2-yl)sulfamoyl]pyrrole-2-carboxylic acid
PubChem CID28740672
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC Name1-methyl-4-[methyl(pyridin-2-yl)sulfamoyl]pyrrole-2-carboxylic acid
SMILESCN(c1ccccn1)S(=O)(=O)c1cc(C(=O)O)n(C)c1
InChIInChI=1S/C12H13N3O4S/c1-14-8-9(7-10(14)12(16)17)20(18,19)15(2)11-5-3-4-6-13-11/h3-8H,1-2H3,(H,16,17)
InChIKeyOWOWYKVGOHVXMN-UHFFFAOYSA-N
XLogP0.94
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[methyl(pyridin-2-yl)sulfamoyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-methyl-4-[methyl(pyridin-2-yl)sulfamoyl]pyrrole-2-carboxylic acid (CID 28740672) is 1-methyl-4-[methyl(pyridin-2-yl)sulfamoyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-methyl-4-[methyl(pyridin-2-yl)sulfamoyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-methyl-4-[methyl(pyridin-2-yl)sulfamoyl]pyrrole-2-carboxylic acid is CN(c1ccccn1)S(=O)(=O)c1cc(C(=O)O)n(C)c1.
What is the InChIKey of 1-methyl-4-[methyl(pyridin-2-yl)sulfamoyl]pyrrole-2-carboxylic acid?
The InChIKey is OWOWYKVGOHVXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c1-14-8-9(7-10(14)12(16)17)20(18,19)15(2)11-5-3-4-6-13-11/h3-8H,1-2H3,(H,16,17).
What are the key properties of 1-methyl-4-[methyl(pyridin-2-yl)sulfamoyl]pyrrole-2-carboxylic acid?
1-methyl-4-[methyl(pyridin-2-yl)sulfamoyl]pyrrole-2-carboxylic acid has a molecular weight of 295.32 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[methyl(pyridin-2-yl)sulfamoyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 28740672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).