4-(2-cyclopentylethylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid

C14H22N2O4S — CID 60920573

IUPAC4-(2-cyclopentylethylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid
SMILESCCn1cc(S(=O)(=O)NCCC2CCCC2)cc1C(=O)O
InChIInChI=1S/C14H22N2O4S/c1-2-16-10-12(9-13(16)14(17)18)21(19,20)15-8-7-11-5-3-4-6-11/h9-11,15H,2-8H2,1H3,(H,17,18)
InChIKeyRGQIUSFFAOMZDK-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.06
Rot. Bonds7

About 4-(2-cyclopentylethylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid

4-(2-cyclopentylethylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid (PubChem CID 60920573) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-(2-cyclopentylethylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-cyclopentylethylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid
PubChem CID60920573
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name4-(2-cyclopentylethylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid
SMILESCCn1cc(S(=O)(=O)NCCC2CCCC2)cc1C(=O)O
InChIInChI=1S/C14H22N2O4S/c1-2-16-10-12(9-13(16)14(17)18)21(19,20)15-8-7-11-5-3-4-6-11/h9-11,15H,2-8H2,1H3,(H,17,18)
InChIKeyRGQIUSFFAOMZDK-UHFFFAOYSA-N
XLogP2.06
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4-(2-pyrrolidin-1-ylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 62641780
4-(cyclopropylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid
CID 43644226
1-ethyl-4-(4,4,4-trifluorobutylsulfamoyl)pyrrole-2-carboxylic acid
CID 115515817
1-ethyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644646
1-ethyl-4-(2-methylsulfanylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644613
1-ethyl-4-[(1-methylpyrrolidin-2-yl)methylsulfamoyl]pyrrole-2-carboxylic acid
CID 106019286
1-ethyl-4-(3-hydroxybutylsulfamoyl)pyrrole-2-carboxylic acid
CID 64928887
1-ethyl-4-[3-(ethylamino)propylsulfamoyl]pyrrole-2-carboxylic acid
CID 61403829
4-(cyclobutylmethylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
CID 43644546
1-ethyl-4-[(1-methylpiperidin-4-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 43644573
1-ethyl-4-[(1-methylpyrrolidin-3-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 61465078
4-[(2-amino-2-oxoethyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 43644264

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentylethylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid?
The IUPAC name of 4-(2-cyclopentylethylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid (CID 60920573) is 4-(2-cyclopentylethylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(2-cyclopentylethylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-(2-cyclopentylethylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid is CCn1cc(S(=O)(=O)NCCC2CCCC2)cc1C(=O)O.
What is the InChIKey of 4-(2-cyclopentylethylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid?
The InChIKey is RGQIUSFFAOMZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-2-16-10-12(9-13(16)14(17)18)21(19,20)15-8-7-11-5-3-4-6-11/h9-11,15H,2-8H2,1H3,(H,17,18).
What are the key properties of 4-(2-cyclopentylethylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid?
4-(2-cyclopentylethylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid has a molecular weight of 314.41 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentylethylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid is sourced from PubChem (CID 60920573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).