4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

C12H11FN2O5S — CID 43380725

IUPAC4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCOc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)O)c2)cc1F
InChIInChI=1S/C12H11FN2O5S/c1-20-11-3-2-7(4-9(11)13)15-21(18,19)8-5-10(12(16)17)14-6-8/h2-6,14-15H,1H3,(H,16,17)
InChIKeyCURQOFPXVDCNAJ-UHFFFAOYSA-N
MW314.29 g/mol
LogP1.66
Rot. Bonds5

About 4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 43380725) has the molecular formula C12H11FN2O5S and a molecular weight of 314.29 g/mol. Its IUPAC name is 4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID43380725
Molecular FormulaC12H11FN2O5S
Molecular Weight314.29 g/mol
Exact Mass314.04
IUPAC Name4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCOc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)O)c2)cc1F
InChIInChI=1S/C12H11FN2O5S/c1-20-11-3-2-7(4-9(11)13)15-21(18,19)8-5-10(12(16)17)14-6-8/h2-6,14-15H,1H3,(H,16,17)
InChIKeyCURQOFPXVDCNAJ-UHFFFAOYSA-N
XLogP1.66
TPSA108.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 43380725) is 4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is COc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)O)c2)cc1F.
What is the InChIKey of 4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is CURQOFPXVDCNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O5S/c1-20-11-3-2-7(4-9(11)13)15-21(18,19)8-5-10(12(16)17)14-6-8/h2-6,14-15H,1H3,(H,16,17).
What are the key properties of 4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 314.29 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 43380725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).