4-[(2-cyano-3-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

C12H8FN3O4S — CID 43580595

IUPAC4-[(2-cyano-3-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESN#Cc1c(F)cccc1NS(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C12H8FN3O4S/c13-9-2-1-3-10(8(9)5-14)16-21(19,20)7-4-11(12(17)18)15-6-7/h1-4,6,15-16H,(H,17,18)
InChIKeyISVLIOKIVWMIDN-UHFFFAOYSA-N
MW309.28 g/mol
LogP1.52
Rot. Bonds4

About 4-[(2-cyano-3-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

4-[(2-cyano-3-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 43580595) has the molecular formula C12H8FN3O4S and a molecular weight of 309.28 g/mol. Its IUPAC name is 4-[(2-cyano-3-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-cyano-3-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID43580595
Molecular FormulaC12H8FN3O4S
Molecular Weight309.28 g/mol
Exact Mass309.02
IUPAC Name4-[(2-cyano-3-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESN#Cc1c(F)cccc1NS(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C12H8FN3O4S/c13-9-2-1-3-10(8(9)5-14)16-21(19,20)7-4-11(12(17)18)15-6-7/h1-4,6,15-16H,(H,17,18)
InChIKeyISVLIOKIVWMIDN-UHFFFAOYSA-N
XLogP1.52
TPSA123.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyano-3-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 60916235
N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide
CID 43580569
4-[(2-aminophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 61403971
4-amino-N-(2-cyano-3-fluorophenyl)-3-fluorobenzenesulfonamide
CID 82845262
4-[(2-carboxy-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 51106121
4-bromo-N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide
CID 60823914
3-amino-4-bromo-N-(2-cyano-3-fluorophenyl)benzenesulfonamide
CID 115328819
4-[(3,4-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 28525667
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
4-[(3,5-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 29051788

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyano-3-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[(2-cyano-3-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 43580595) is 4-[(2-cyano-3-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[(2-cyano-3-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[(2-cyano-3-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is N#Cc1c(F)cccc1NS(=O)(=O)c1c[nH]c(C(=O)O)c1.
What is the InChIKey of 4-[(2-cyano-3-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is ISVLIOKIVWMIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O4S/c13-9-2-1-3-10(8(9)5-14)16-21(19,20)7-4-11(12(17)18)15-6-7/h1-4,6,15-16H,(H,17,18).
What are the key properties of 4-[(2-cyano-3-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
4-[(2-cyano-3-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 309.28 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyano-3-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 43580595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).