4-[(2-aminophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

C11H11N3O4S — CID 61403971

IUPAC4-[(2-aminophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESNc1ccccc1NS(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C11H11N3O4S/c12-8-3-1-2-4-9(8)14-19(17,18)7-5-10(11(15)16)13-6-7/h1-6,13-14H,12H2,(H,15,16)
InChIKeyYLQCIAVXSRGQIJ-UHFFFAOYSA-N
MW281.29 g/mol
LogP1.10
Rot. Bonds4

About 4-[(2-aminophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

4-[(2-aminophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 61403971) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is 4-[(2-aminophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-aminophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID61403971
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC Name4-[(2-aminophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESNc1ccccc1NS(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C11H11N3O4S/c12-8-3-1-2-4-9(8)14-19(17,18)7-5-10(11(15)16)13-6-7/h1-6,13-14H,12H2,(H,15,16)
InChIKeyYLQCIAVXSRGQIJ-UHFFFAOYSA-N
XLogP1.10
TPSA125.28 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 51.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(dimethylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43714614
4-[(2-chloro-3-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43361749
4-[(2,5-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 16780372
4-[(2,4-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 16780701
4-[(2-carboxy-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 51106121
4-[(3-hydroxy-2,4-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43714669
4-[(2-cyano-3-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43580595
4-[(3-methyl-4-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 63672039
4-[(2-bromo-5-methoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 62732887
4-[(3,5-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 29051788
4-[(2-carbamoyl-1-benzofuran-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 51106763
4-(2-phenylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 16780760

Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[(2-aminophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 61403971) is 4-[(2-aminophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[(2-aminophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[(2-aminophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is Nc1ccccc1NS(=O)(=O)c1c[nH]c(C(=O)O)c1.
What is the InChIKey of 4-[(2-aminophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is YLQCIAVXSRGQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S/c12-8-3-1-2-4-9(8)14-19(17,18)7-5-10(11(15)16)13-6-7/h1-6,13-14H,12H2,(H,15,16).
What are the key properties of 4-[(2-aminophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
4-[(2-aminophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 281.29 g/mol, XLogP of 1.10, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 61403971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).