1-ethyl-4-(1,2-oxazol-5-ylmethylsulfamoyl)pyrrole-2-carboxylic acid

C11H13N3O5S — CID 106415227

IUPAC1-ethyl-4-(1,2-oxazol-5-ylmethylsulfamoyl)pyrrole-2-carboxylic acid
SMILESCCn1cc(S(=O)(=O)NCc2ccno2)cc1C(=O)O
InChIInChI=1S/C11H13N3O5S/c1-2-14-7-9(5-10(14)11(15)16)20(17,18)13-6-8-3-4-12-19-8/h3-5,7,13H,2,6H2,1H3,(H,15,16)
InChIKeyNDQBDXQXLIVMHB-UHFFFAOYSA-N
MW299.31 g/mol
LogP0.67
Rot. Bonds6

About 1-ethyl-4-(1,2-oxazol-5-ylmethylsulfamoyl)pyrrole-2-carboxylic acid

1-ethyl-4-(1,2-oxazol-5-ylmethylsulfamoyl)pyrrole-2-carboxylic acid (PubChem CID 106415227) has the molecular formula C11H13N3O5S and a molecular weight of 299.31 g/mol. Its IUPAC name is 1-ethyl-4-(1,2-oxazol-5-ylmethylsulfamoyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-4-(1,2-oxazol-5-ylmethylsulfamoyl)pyrrole-2-carboxylic acid
PubChem CID106415227
Molecular FormulaC11H13N3O5S
Molecular Weight299.31 g/mol
Exact Mass299.06
IUPAC Name1-ethyl-4-(1,2-oxazol-5-ylmethylsulfamoyl)pyrrole-2-carboxylic acid
SMILESCCn1cc(S(=O)(=O)NCc2ccno2)cc1C(=O)O
InChIInChI=1S/C11H13N3O5S/c1-2-14-7-9(5-10(14)11(15)16)20(17,18)13-6-8-3-4-12-19-8/h3-5,7,13H,2,6H2,1H3,(H,15,16)
InChIKeyNDQBDXQXLIVMHB-UHFFFAOYSA-N
XLogP0.67
TPSA114.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-4-(furan-2-ylmethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644210
1-ethyl-4-(1H-pyrazol-5-ylmethylsulfamoyl)pyrrole-2-carboxylic acid
CID 61284111
4-[(2-amino-2-oxoethyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 43644264
1-ethyl-4-(4,4,4-trifluorobutylsulfamoyl)pyrrole-2-carboxylic acid
CID 115515817
1-ethyl-4-(2-pyrazol-1-ylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 61462573
1-ethyl-4-(2-sulfamoylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644646
1-ethyl-4-(2-methylsulfanylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644613
4-(cyclopropylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid
CID 43644226
1-ethyl-4-[3-(ethylamino)propylsulfamoyl]pyrrole-2-carboxylic acid
CID 61403829
1-ethyl-4-(2,2,2-trifluoroethoxysulfamoyl)pyrrole-2-carboxylic acid
CID 82706668
1-ethyl-4-(3-hydroxybutylsulfamoyl)pyrrole-2-carboxylic acid
CID 64928887
4-(ethylamino)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106422766

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(1,2-oxazol-5-ylmethylsulfamoyl)pyrrole-2-carboxylic acid?
The IUPAC name of 1-ethyl-4-(1,2-oxazol-5-ylmethylsulfamoyl)pyrrole-2-carboxylic acid (CID 106415227) is 1-ethyl-4-(1,2-oxazol-5-ylmethylsulfamoyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-ethyl-4-(1,2-oxazol-5-ylmethylsulfamoyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 1-ethyl-4-(1,2-oxazol-5-ylmethylsulfamoyl)pyrrole-2-carboxylic acid is CCn1cc(S(=O)(=O)NCc2ccno2)cc1C(=O)O.
What is the InChIKey of 1-ethyl-4-(1,2-oxazol-5-ylmethylsulfamoyl)pyrrole-2-carboxylic acid?
The InChIKey is NDQBDXQXLIVMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5S/c1-2-14-7-9(5-10(14)11(15)16)20(17,18)13-6-8-3-4-12-19-8/h3-5,7,13H,2,6H2,1H3,(H,15,16).
What are the key properties of 1-ethyl-4-(1,2-oxazol-5-ylmethylsulfamoyl)pyrrole-2-carboxylic acid?
1-ethyl-4-(1,2-oxazol-5-ylmethylsulfamoyl)pyrrole-2-carboxylic acid has a molecular weight of 299.31 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(1,2-oxazol-5-ylmethylsulfamoyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 106415227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).