1-ethyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid

C9H15N3O6S2 — CID 43644646

IUPAC1-ethyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid
SMILESCCn1cc(S(=O)(=O)NCCS(N)(=O)=O)cc1C(=O)O
InChIInChI=1S/C9H15N3O6S2/c1-2-12-6-7(5-8(12)9(13)14)20(17,18)11-3-4-19(10,15)16/h5-6,11H,2-4H2,1H3,(H,13,14)(H2,10,15,16)
InChIKeyKJKRDAJADVRTOJ-UHFFFAOYSA-N
MW325.37 g/mol
LogP-1.23
Rot. Bonds7

About 1-ethyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid

1-ethyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid (PubChem CID 43644646) has the molecular formula C9H15N3O6S2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-ethyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid
PubChem CID43644646
Molecular FormulaC9H15N3O6S2
Molecular Weight325.37 g/mol
Exact Mass325.04
IUPAC Name1-ethyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid
SMILESCCn1cc(S(=O)(=O)NCCS(N)(=O)=O)cc1C(=O)O
InChIInChI=1S/C9H15N3O6S2/c1-2-12-6-7(5-8(12)9(13)14)20(17,18)11-3-4-19(10,15)16/h5-6,11H,2-4H2,1H3,(H,13,14)(H2,10,15,16)
InChIKeyKJKRDAJADVRTOJ-UHFFFAOYSA-N
XLogP-1.23
TPSA148.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43552078
1-ethyl-4-(2-methylsulfanylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644613
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-(3-hydroxybutylsulfamoyl)pyrrole-2-carboxylic acid
CID 64928887
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-(2-cyclopentylethylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid
CID 60920573
1-ethyl-4-(2-pyrazol-1-ylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 61462573
4-(cyclopropylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid
CID 43644226
4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 43644640
1-ethyl-4-(2-methylbutan-2-ylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644182

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid?
The IUPAC name of 1-ethyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid (CID 43644646) is 1-ethyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-ethyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 1-ethyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid is CCn1cc(S(=O)(=O)NCCS(N)(=O)=O)cc1C(=O)O.
What is the InChIKey of 1-ethyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid?
The InChIKey is KJKRDAJADVRTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O6S2/c1-2-12-6-7(5-8(12)9(13)14)20(17,18)11-3-4-19(10,15)16/h5-6,11H,2-4H2,1H3,(H,13,14)(H2,10,15,16).
What are the key properties of 1-ethyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid?
1-ethyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid has a molecular weight of 325.37 g/mol, XLogP of -1.23, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 43644646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).