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

C10H14N2O4S — CID 43644226

IUPAC4-(cyclopropylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid
SMILESCCn1cc(S(=O)(=O)NC2CC2)cc1C(=O)O
InChIInChI=1S/C10H14N2O4S/c1-2-12-6-8(5-9(12)10(13)14)17(15,16)11-7-3-4-7/h5-7,11H,2-4H2,1H3,(H,13,14)
InChIKeyZHQZCIZLWJQPJR-UHFFFAOYSA-N
MW258.30 g/mol
LogP0.65
Rot. Bonds5

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

4-(cyclopropylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid (PubChem CID 43644226) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 4-(cyclopropylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(cyclopropylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid
PubChem CID43644226
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name4-(cyclopropylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid
SMILESCCn1cc(S(=O)(=O)NC2CC2)cc1C(=O)O
InChIInChI=1S/C10H14N2O4S/c1-2-12-6-8(5-9(12)10(13)14)17(15,16)11-7-3-4-7/h5-7,11H,2-4H2,1H3,(H,13,14)
InChIKeyZHQZCIZLWJQPJR-UHFFFAOYSA-N
XLogP0.65
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-ethyl-4-[(3-methylsulfanylcyclopentyl)sulfamoyl]pyrrole-2-carboxylic acid
CID 104655228
1-ethyl-4-[(5-oxopyrrolidin-3-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 106185307
1-ethyl-4-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]sulfamoyl]pyrrole-2-carboxylic acid
CID 124683804
4-(2-cyclopentylethylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid
CID 60920573
1-ethyl-4-[(1-methylpyrrolidin-2-yl)methylsulfamoyl]pyrrole-2-carboxylic acid
CID 106019286
4-[(2-amino-2-oxoethyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 43644264
1-ethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644182
1-ethyl-4-(2-pyrrolidin-1-ylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 62641780
4-[cyclopropylmethyl(methyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 60952181
1-ethyl-4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 60780498

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid?
The IUPAC name of 4-(cyclopropylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid (CID 43644226) is 4-(cyclopropylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(cyclopropylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-(cyclopropylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid is CCn1cc(S(=O)(=O)NC2CC2)cc1C(=O)O.
What is the InChIKey of 4-(cyclopropylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid?
The InChIKey is ZHQZCIZLWJQPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-2-12-6-8(5-9(12)10(13)14)17(15,16)11-7-3-4-7/h5-7,11H,2-4H2,1H3,(H,13,14).
What are the key properties of 4-(cyclopropylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid?
4-(cyclopropylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid has a molecular weight of 258.30 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid is sourced from PubChem (CID 43644226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).