ethyl 4-(1H-imidazol-2-ylsulfonylamino)-1-methylpyrrole-3-carboxylate

C11H14N4O4S — CID 167825671

IUPACethyl 4-(1H-imidazol-2-ylsulfonylamino)-1-methylpyrrole-3-carboxylate
SMILESCCOC(=O)c1cn(C)cc1NS(=O)(=O)c1ncc[nH]1
InChIInChI=1S/C11H14N4O4S/c1-3-19-10(16)8-6-15(2)7-9(8)14-20(17,18)11-12-4-5-13-11/h4-7,14H,3H2,1-2H3,(H,12,13)
InChIKeyGHUUDBQBGBPKPC-UHFFFAOYSA-N
MW298.32 g/mol
LogP0.73
Rot. Bonds5

About ethyl 4-(1H-imidazol-2-ylsulfonylamino)-1-methylpyrrole-3-carboxylate

ethyl 4-(1H-imidazol-2-ylsulfonylamino)-1-methylpyrrole-3-carboxylate (PubChem CID 167825671) has the molecular formula C11H14N4O4S and a molecular weight of 298.32 g/mol. Its IUPAC name is ethyl 4-(1H-imidazol-2-ylsulfonylamino)-1-methylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1H-imidazol-2-ylsulfonylamino)-1-methylpyrrole-3-carboxylate
PubChem CID167825671
Molecular FormulaC11H14N4O4S
Molecular Weight298.32 g/mol
Exact Mass298.07
IUPAC Nameethyl 4-(1H-imidazol-2-ylsulfonylamino)-1-methylpyrrole-3-carboxylate
SMILESCCOC(=O)c1cn(C)cc1NS(=O)(=O)c1ncc[nH]1
InChIInChI=1S/C11H14N4O4S/c1-3-19-10(16)8-6-15(2)7-9(8)14-20(17,18)11-12-4-5-13-11/h4-7,14H,3H2,1-2H3,(H,12,13)
InChIKeyGHUUDBQBGBPKPC-UHFFFAOYSA-N
XLogP0.73
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-methyl-4-[(4-methylsulfonylbenzoyl)amino]pyrrole-3-carboxylate
CID 166263240
ethane;ethyl 1H-imidazole-2-carboxylate
CID 143717895
ethyl 4-(3-hydroxyprop-2-ynoyl)-1-methylpyrrole-3-carboxylate
CID 58761202
ethyl 5-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 80708490
ethyl 5-[(2-iodophenyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 60712737
ethyl 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylamino]benzoate
CID 22775153
ethyl 4-(2-amino-5-chlorophenyl)sulfonyl-1-methylpyrrole-3-carboxylate
CID 5278337
ethyl 5-[(2-propan-2-ylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 46510750
ethyl 5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 150114167
ethyl 2-[[6-(dimethylamino)-3-pyridinyl]sulfonylamino]-1H-pyrrole-3-carboxylate
CID 167761101
ethyl 5-(1,3-thiazol-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60713527
ethyl 8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate
CID 16740433

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1H-imidazol-2-ylsulfonylamino)-1-methylpyrrole-3-carboxylate?
The IUPAC name of ethyl 4-(1H-imidazol-2-ylsulfonylamino)-1-methylpyrrole-3-carboxylate (CID 167825671) is ethyl 4-(1H-imidazol-2-ylsulfonylamino)-1-methylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 4-(1H-imidazol-2-ylsulfonylamino)-1-methylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 4-(1H-imidazol-2-ylsulfonylamino)-1-methylpyrrole-3-carboxylate is CCOC(=O)c1cn(C)cc1NS(=O)(=O)c1ncc[nH]1.
What is the InChIKey of ethyl 4-(1H-imidazol-2-ylsulfonylamino)-1-methylpyrrole-3-carboxylate?
The InChIKey is GHUUDBQBGBPKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4S/c1-3-19-10(16)8-6-15(2)7-9(8)14-20(17,18)11-12-4-5-13-11/h4-7,14H,3H2,1-2H3,(H,12,13).
What are the key properties of ethyl 4-(1H-imidazol-2-ylsulfonylamino)-1-methylpyrrole-3-carboxylate?
ethyl 4-(1H-imidazol-2-ylsulfonylamino)-1-methylpyrrole-3-carboxylate has a molecular weight of 298.32 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1H-imidazol-2-ylsulfonylamino)-1-methylpyrrole-3-carboxylate is sourced from PubChem (CID 167825671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).