1-ethyl-4-(3-hydroxybutylsulfamoyl)pyrrole-2-carboxylic acid

C11H18N2O5S — CID 64928887

IUPAC1-ethyl-4-(3-hydroxybutylsulfamoyl)pyrrole-2-carboxylic acid
SMILESCCn1cc(S(=O)(=O)NCCC(C)O)cc1C(=O)O
InChIInChI=1S/C11H18N2O5S/c1-3-13-7-9(6-10(13)11(15)16)19(17,18)12-5-4-8(2)14/h6-8,12,14H,3-5H2,1-2H3,(H,15,16)
InChIKeyDYITZTDGHCNEIA-UHFFFAOYSA-N
MW290.34 g/mol
LogP0.26
Rot. Bonds7

About 1-ethyl-4-(3-hydroxybutylsulfamoyl)pyrrole-2-carboxylic acid

1-ethyl-4-(3-hydroxybutylsulfamoyl)pyrrole-2-carboxylic acid (PubChem CID 64928887) has the molecular formula C11H18N2O5S and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-ethyl-4-(3-hydroxybutylsulfamoyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-4-(3-hydroxybutylsulfamoyl)pyrrole-2-carboxylic acid
PubChem CID64928887
Molecular FormulaC11H18N2O5S
Molecular Weight290.34 g/mol
Exact Mass290.09
IUPAC Name1-ethyl-4-(3-hydroxybutylsulfamoyl)pyrrole-2-carboxylic acid
SMILESCCn1cc(S(=O)(=O)NCCC(C)O)cc1C(=O)O
InChIInChI=1S/C11H18N2O5S/c1-3-13-7-9(6-10(13)11(15)16)19(17,18)12-5-4-8(2)14/h6-8,12,14H,3-5H2,1-2H3,(H,15,16)
InChIKeyDYITZTDGHCNEIA-UHFFFAOYSA-N
XLogP0.26
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid
CID 66091074
1-ethyl-4-(2-methylsulfanylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644613
1-ethyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644646
4-[(2-amino-2-oxoethyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 43644264
1-ethyl-4-[3-(ethylamino)propylsulfamoyl]pyrrole-2-carboxylic acid
CID 61403829
1-ethyl-4-(4,4,4-trifluorobutylsulfamoyl)pyrrole-2-carboxylic acid
CID 115515817
1-ethyl-4-(2-pyrrolidin-1-ylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 62641780
4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 43644640
4-(2-cyclopentylethylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid
CID 60920573
1-ethyl-4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 60780498
1-ethyl-4-(2-pyrazol-1-ylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 61462573
4-[1-(dimethylamino)propan-2-ylsulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 82944674

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(3-hydroxybutylsulfamoyl)pyrrole-2-carboxylic acid?
The IUPAC name of 1-ethyl-4-(3-hydroxybutylsulfamoyl)pyrrole-2-carboxylic acid (CID 64928887) is 1-ethyl-4-(3-hydroxybutylsulfamoyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-ethyl-4-(3-hydroxybutylsulfamoyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 1-ethyl-4-(3-hydroxybutylsulfamoyl)pyrrole-2-carboxylic acid is CCn1cc(S(=O)(=O)NCCC(C)O)cc1C(=O)O.
What is the InChIKey of 1-ethyl-4-(3-hydroxybutylsulfamoyl)pyrrole-2-carboxylic acid?
The InChIKey is DYITZTDGHCNEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5S/c1-3-13-7-9(6-10(13)11(15)16)19(17,18)12-5-4-8(2)14/h6-8,12,14H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 1-ethyl-4-(3-hydroxybutylsulfamoyl)pyrrole-2-carboxylic acid?
1-ethyl-4-(3-hydroxybutylsulfamoyl)pyrrole-2-carboxylic acid has a molecular weight of 290.34 g/mol, XLogP of 0.26, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(3-hydroxybutylsulfamoyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 64928887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).