4-[(3-methyl-4-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

C11H11N3O4S — CID 63672039

IUPAC4-[(3-methyl-4-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCc1cnccc1NS(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C11H11N3O4S/c1-7-5-12-3-2-9(7)14-19(17,18)8-4-10(11(15)16)13-6-8/h2-6,13H,1H3,(H,12,14)(H,15,16)
InChIKeyMXTPVUJPGGAKAE-UHFFFAOYSA-N
MW281.29 g/mol
LogP1.22
Rot. Bonds4

About 4-[(3-methyl-4-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

4-[(3-methyl-4-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 63672039) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is 4-[(3-methyl-4-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-methyl-4-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID63672039
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC Name4-[(3-methyl-4-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCc1cnccc1NS(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C11H11N3O4S/c1-7-5-12-3-2-9(7)14-19(17,18)8-4-10(11(15)16)13-6-8/h2-6,13H,1H3,(H,12,14)(H,15,16)
InChIKeyMXTPVUJPGGAKAE-UHFFFAOYSA-N
XLogP1.22
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,4-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 16780701
4-[(2,5-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 16780372
3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid
CID 63672038
4-[(3-hydroxy-2,4-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43714669
4-[(2-chloro-3-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43361749
4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 66524316
4-acetyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63670374
4-[(2-aminophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 61403971
4-methyl-3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid
CID 63669848
4-[[2-(dimethylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43714614
4-amino-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63669666
4-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43361762

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-4-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[(3-methyl-4-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 63672039) is 4-[(3-methyl-4-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[(3-methyl-4-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[(3-methyl-4-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is Cc1cnccc1NS(=O)(=O)c1c[nH]c(C(=O)O)c1.
What is the InChIKey of 4-[(3-methyl-4-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is MXTPVUJPGGAKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S/c1-7-5-12-3-2-9(7)14-19(17,18)8-4-10(11(15)16)13-6-8/h2-6,13H,1H3,(H,12,14)(H,15,16).
What are the key properties of 4-[(3-methyl-4-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
4-[(3-methyl-4-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 281.29 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-4-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 63672039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).