1-ethyl-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid

C12H20N2O5S — CID 66091074

IUPAC1-ethyl-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid
SMILESCCn1cc(S(=O)(=O)NCC(C)CCO)cc1C(=O)O
InChIInChI=1S/C12H20N2O5S/c1-3-14-8-10(6-11(14)12(16)17)20(18,19)13-7-9(2)4-5-15/h6,8-9,13,15H,3-5,7H2,1-2H3,(H,16,17)
InChIKeyOZXZLXHXQYSWBU-UHFFFAOYSA-N
MW304.37 g/mol
LogP0.50
Rot. Bonds8

About 1-ethyl-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid

1-ethyl-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid (PubChem CID 66091074) has the molecular formula C12H20N2O5S and a molecular weight of 304.37 g/mol. Its IUPAC name is 1-ethyl-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid
PubChem CID66091074
Molecular FormulaC12H20N2O5S
Molecular Weight304.37 g/mol
Exact Mass304.11
IUPAC Name1-ethyl-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid
SMILESCCn1cc(S(=O)(=O)NCC(C)CCO)cc1C(=O)O
InChIInChI=1S/C12H20N2O5S/c1-3-14-8-10(6-11(14)12(16)17)20(18,19)13-7-9(2)4-5-15/h6,8-9,13,15H,3-5,7H2,1-2H3,(H,16,17)
InChIKeyOZXZLXHXQYSWBU-UHFFFAOYSA-N
XLogP0.50
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-4-(3-hydroxybutylsulfamoyl)pyrrole-2-carboxylic acid
CID 64928887
4-[(2-amino-2-oxoethyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 43644264
4-(2-methylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
CID 62693061
4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 43644640
4-(2,3-dihydroxypropylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
CID 66169532
1-ethyl-4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 60780498
1-ethyl-4-(2-methylsulfanylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644613
1-ethyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644646
4-[1-(dimethylamino)propan-2-ylsulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 82944674
4-(cyclopropylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid
CID 43644226
1-ethyl-4-[3-(ethylamino)propylsulfamoyl]pyrrole-2-carboxylic acid
CID 61403829
4-(2,3-dimethylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
CID 64571046

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-ethyl-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid (CID 66091074) is 1-ethyl-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-ethyl-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-ethyl-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid is CCn1cc(S(=O)(=O)NCC(C)CCO)cc1C(=O)O.
What is the InChIKey of 1-ethyl-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid?
The InChIKey is OZXZLXHXQYSWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5S/c1-3-14-8-10(6-11(14)12(16)17)20(18,19)13-7-9(2)4-5-15/h6,8-9,13,15H,3-5,7H2,1-2H3,(H,16,17).
What are the key properties of 1-ethyl-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid?
1-ethyl-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid has a molecular weight of 304.37 g/mol, XLogP of 0.50, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(4-hydroxy-2-methylbutyl)sulfamoyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 66091074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).