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

C11H8BrFN2O4S — CID 115663160

IUPAC4-[(3-bromo-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccc(F)c(Br)c2)c[nH]1
InChIInChI=1S/C11H8BrFN2O4S/c12-8-3-6(1-2-9(8)13)15-20(18,19)7-4-10(11(16)17)14-5-7/h1-5,14-15H,(H,16,17)
InChIKeyGLKZHLXLWRIYGV-UHFFFAOYSA-N
MW363.16 g/mol
LogP2.42
Rot. Bonds4

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

4-[(3-bromo-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 115663160) has the molecular formula C11H8BrFN2O4S and a molecular weight of 363.16 g/mol. Its IUPAC name is 4-[(3-bromo-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-bromo-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID115663160
Molecular FormulaC11H8BrFN2O4S
Molecular Weight363.16 g/mol
Exact Mass361.94
IUPAC Name4-[(3-bromo-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccc(F)c(Br)c2)c[nH]1
InChIInChI=1S/C11H8BrFN2O4S/c12-8-3-6(1-2-9(8)13)15-20(18,19)7-4-10(11(16)17)14-5-7/h1-5,14-15H,(H,16,17)
InChIKeyGLKZHLXLWRIYGV-UHFFFAOYSA-N
XLogP2.42
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.16
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,4-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 28525667
4-[(3,5-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 29051788
N-(3-bromo-4-fluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 104780385
4-[(4-bromo-2,6-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 65467761
4-[(3-chloro-4-hydroxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 103930783
N-(3-bromo-4-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 115663189
5-[(3-bromo-4-fluorophenyl)sulfamoyl]furan-2-carboxylic acid
CID 104775672
N-(4-fluorophenyl)-5-(hydrazinecarbonyl)-1H-pyrrole-3-sulfonamide
CID 16780201
4-[(3-bromo-5-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 104937748
4-[[3-(hydroxymethyl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43712120
N-(3-bromo-4-fluorophenyl)-4-hydrazinylbenzenesulfonamide
CID 113452318
4-[(2-carboxy-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 51106121

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[(3-bromo-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 115663160) is 4-[(3-bromo-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[(3-bromo-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[(3-bromo-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)Nc2ccc(F)c(Br)c2)c[nH]1.
What is the InChIKey of 4-[(3-bromo-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is GLKZHLXLWRIYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O4S/c12-8-3-6(1-2-9(8)13)15-20(18,19)7-4-10(11(16)17)14-5-7/h1-5,14-15H,(H,16,17).
What are the key properties of 4-[(3-bromo-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
4-[(3-bromo-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 363.16 g/mol, XLogP of 2.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 115663160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).