4-(2-methylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid

C13H22N2O4S — CID 62693061

IUPAC4-(2-methylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
SMILESCCCn1cc(S(=O)(=O)NCC(C)CC)cc1C(=O)O
InChIInChI=1S/C13H22N2O4S/c1-4-6-15-9-11(7-12(15)13(16)17)20(18,19)14-8-10(3)5-2/h7,9-10,14H,4-6,8H2,1-3H3,(H,16,17)
InChIKeyWXSZOLTXRQOPFJ-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.92
Rot. Bonds8

About 4-(2-methylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid

4-(2-methylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid (PubChem CID 62693061) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-(2-methylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
PubChem CID62693061
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC Name4-(2-methylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
SMILESCCCn1cc(S(=O)(=O)NCC(C)CC)cc1C(=O)O
InChIInChI=1S/C13H22N2O4S/c1-4-6-15-9-11(7-12(15)13(16)17)20(18,19)14-8-10(3)5-2/h7,9-10,14H,4-6,8H2,1-3H3,(H,16,17)
InChIKeyWXSZOLTXRQOPFJ-UHFFFAOYSA-N
XLogP1.92
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-methylbutylsulfamoyl)-1-propylpyrrole-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

4-(2,3-dimethylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
CID 64571046
4-(2,3-dihydroxypropylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
CID 66169532
4-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 115358273
4-[(2-methoxy-2-oxoethyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 43644286
4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 61464739
1-ethyl-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid
CID 66091074
4-[1-(dimethylamino)propan-2-ylsulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 82925470
4-[3-(ethylamino)propylsulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 61403782
4-[(2,3-dihydroxy-2-methylpropyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 66185336
4-(cyclobutylmethylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
CID 43644546
4-(hex-1-yn-3-ylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
CID 106224200
4-[methyl(2-methylpropyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 43644518

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid?
The IUPAC name of 4-(2-methylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid (CID 62693061) is 4-(2-methylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(2-methylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-(2-methylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid is CCCn1cc(S(=O)(=O)NCC(C)CC)cc1C(=O)O.
What is the InChIKey of 4-(2-methylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid?
The InChIKey is WXSZOLTXRQOPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-4-6-15-9-11(7-12(15)13(16)17)20(18,19)14-8-10(3)5-2/h7,9-10,14H,4-6,8H2,1-3H3,(H,16,17).
What are the key properties of 4-(2-methylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid?
4-(2-methylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid has a molecular weight of 302.40 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid is sourced from PubChem (CID 62693061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).