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

C12H9FN2O6S — CID 51106121

IUPAC4-[(2-carboxy-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccc(F)cc2C(=O)O)c[nH]1
InChIInChI=1S/C12H9FN2O6S/c13-6-1-2-9(8(3-6)11(16)17)15-22(20,21)7-4-10(12(18)19)14-5-7/h1-5,14-15H,(H,16,17)(H,18,19)
InChIKeyFXLDZWDQVJCTMA-UHFFFAOYSA-N
MW328.28 g/mol
LogP1.35
Rot. Bonds5

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

4-[(2-carboxy-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 51106121) has the molecular formula C12H9FN2O6S and a molecular weight of 328.28 g/mol. Its IUPAC name is 4-[(2-carboxy-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-carboxy-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID51106121
Molecular FormulaC12H9FN2O6S
Molecular Weight328.28 g/mol
Exact Mass328.02
IUPAC Name4-[(2-carboxy-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccc(F)cc2C(=O)O)c[nH]1
InChIInChI=1S/C12H9FN2O6S/c13-6-1-2-9(8(3-6)11(16)17)15-22(20,21)7-4-10(12(18)19)14-5-7/h1-5,14-15H,(H,16,17)(H,18,19)
InChIKeyFXLDZWDQVJCTMA-UHFFFAOYSA-N
XLogP1.35
TPSA136.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 51.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,5-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 29051788
4-[(2,4-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 16780701
4-[(2-aminophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 61403971
methyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate
CID 22552084
4-[(3,4-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 28525667
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-[(2,5-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 16780372
4-[(4-bromo-2,6-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 65467761
4-[(3-bromo-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 115663160
4-[[2-(dimethylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43714614
2-[(3-bromothiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid
CID 61061552

Frequently Asked Questions

What is the IUPAC name of 4-[(2-carboxy-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[(2-carboxy-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 51106121) is 4-[(2-carboxy-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[(2-carboxy-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[(2-carboxy-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)Nc2ccc(F)cc2C(=O)O)c[nH]1.
What is the InChIKey of 4-[(2-carboxy-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is FXLDZWDQVJCTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O6S/c13-6-1-2-9(8(3-6)11(16)17)15-22(20,21)7-4-10(12(18)19)14-5-7/h1-5,14-15H,(H,16,17)(H,18,19).
What are the key properties of 4-[(2-carboxy-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
4-[(2-carboxy-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 328.28 g/mol, XLogP of 1.35, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-carboxy-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 51106121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).