4-(diethylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid

C12H20N2O4S — CID 43644195

IUPAC4-(diethylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)O)n(C(C)C)c1
InChIInChI=1S/C12H20N2O4S/c1-5-13(6-2)19(17,18)10-7-11(12(15)16)14(8-10)9(3)4/h7-9H,5-6H2,1-4H3,(H,15,16)
InChIKeyFYYICNPFGZKZQH-UHFFFAOYSA-N
MW288.37 g/mol
LogP1.80
Rot. Bonds6

About 4-(diethylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid

4-(diethylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid (PubChem CID 43644195) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid
PubChem CID43644195
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name4-(diethylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)O)n(C(C)C)c1
InChIInChI=1S/C12H20N2O4S/c1-5-13(6-2)19(17,18)10-7-11(12(15)16)14(8-10)9(3)4/h7-9H,5-6H2,1-4H3,(H,15,16)
InChIKeyFYYICNPFGZKZQH-UHFFFAOYSA-N
XLogP1.80
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethyl(methyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid
CID 43644484
4-[bis(prop-2-enyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid
CID 43644422
4-[methyl(pentan-3-yl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid
CID 43644675
4-[2-hydroxypropyl(methyl)sulfamoyl]-1-propan-2-ylpyrrole-2-carboxylic acid
CID 62332568
1-propan-2-yl-4-[propan-2-yl(prop-2-enyl)sulfamoyl]pyrrole-2-carboxylic acid
CID 60951201
1-propan-2-yl-4-(2,2,2-trifluoroethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644406
1-ethyl-4-[ethyl(2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid
CID 79482168
4-(cyanomethylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid
CID 61206942
1-propan-2-yl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylic acid
CID 43644167
4-(4-methylpentylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid
CID 61044010
4-(2-methylsulfanylethylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid
CID 43644614
4-piperidin-1-ylsulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid
CID 43644293

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid?
The IUPAC name of 4-(diethylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid (CID 43644195) is 4-(diethylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(diethylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-(diethylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid is CCN(CC)S(=O)(=O)c1cc(C(=O)O)n(C(C)C)c1.
What is the InChIKey of 4-(diethylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid?
The InChIKey is FYYICNPFGZKZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-5-13(6-2)19(17,18)10-7-11(12(15)16)14(8-10)9(3)4/h7-9H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 4-(diethylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid?
4-(diethylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid has a molecular weight of 288.37 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-1-propan-2-ylpyrrole-2-carboxylic acid is sourced from PubChem (CID 43644195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).