1-ethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylic acid

C12H20N2O4S — CID 43644182

IUPAC1-ethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylic acid
SMILESCCn1cc(S(=O)(=O)NC(C)(C)CC)cc1C(=O)O
InChIInChI=1S/C12H20N2O4S/c1-5-12(3,4)13-19(17,18)9-7-10(11(15)16)14(6-2)8-9/h7-8,13H,5-6H2,1-4H3,(H,15,16)
InChIKeyKQUZLQPVUTVDIW-UHFFFAOYSA-N
MW288.37 g/mol
LogP1.67
Rot. Bonds6

About 1-ethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylic acid

1-ethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylic acid (PubChem CID 43644182) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-ethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylic acid
PubChem CID43644182
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name1-ethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylic acid
SMILESCCn1cc(S(=O)(=O)NC(C)(C)CC)cc1C(=O)O
InChIInChI=1S/C12H20N2O4S/c1-5-12(3,4)13-19(17,18)9-7-10(11(15)16)14(6-2)8-9/h7-8,13H,5-6H2,1-4H3,(H,15,16)
InChIKeyKQUZLQPVUTVDIW-UHFFFAOYSA-N
XLogP1.67
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-amino-2-oxoethyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 43644264
4-(cyclopropylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid
CID 43644226
1-ethyl-4-(2,2,2-trifluoroethoxysulfamoyl)pyrrole-2-carboxylic acid
CID 82706668
1-ethyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)pyrrole-3-sulfonamide
CID 106031575
1-ethyl-4-(4,4,4-trifluorobutylsulfamoyl)pyrrole-2-carboxylic acid
CID 115515817
1-ethyl-4-(2-methylsulfanylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644613
1-ethyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644646
1-ethyl-4-(3-hydroxybutylsulfamoyl)pyrrole-2-carboxylic acid
CID 64928887
4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 43644640
1-ethyl-4-[3-(ethylamino)propylsulfamoyl]pyrrole-2-carboxylic acid
CID 61403829
4-(2-cyclopentylethylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid
CID 60920573
1-ethyl-4-(2-pyrrolidin-1-ylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 62641780

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylic acid?
The IUPAC name of 1-ethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylic acid (CID 43644182) is 1-ethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-ethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 1-ethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylic acid is CCn1cc(S(=O)(=O)NC(C)(C)CC)cc1C(=O)O.
What is the InChIKey of 1-ethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylic acid?
The InChIKey is KQUZLQPVUTVDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-5-12(3,4)13-19(17,18)9-7-10(11(15)16)14(6-2)8-9/h7-8,13H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 1-ethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylic acid?
1-ethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylic acid has a molecular weight of 288.37 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 43644182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).