[2-oxo-2-(1H-pyrrol-2-yl)ethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate

C15H15FN2O5S — CID 7609167

IUPAC[2-oxo-2-(1H-pyrrol-2-yl)ethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate
SMILESC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)OCC(=O)c1ccc[nH]1
InChIInChI=1S/C15H15FN2O5S/c1-10(15(20)23-9-14(19)13-3-2-8-17-13)18-24(21,22)12-6-4-11(16)5-7-12/h2-8,10,17-18H,9H2,1H3/t10-/m0/s1
InChIKeyPJZNEOYKFRHTBL-JTQLQIEISA-N
MW354.36 g/mol
LogP1.25
Rot. Bonds7

About [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate

[2-oxo-2-(1H-pyrrol-2-yl)ethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate (PubChem CID 7609167) has the molecular formula C15H15FN2O5S and a molecular weight of 354.36 g/mol. Its IUPAC name is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[2-oxo-2-(1H-pyrrol-2-yl)ethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate
PubChem CID7609167
Molecular FormulaC15H15FN2O5S
Molecular Weight354.36 g/mol
Exact Mass354.07
IUPAC Name[2-oxo-2-(1H-pyrrol-2-yl)ethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate
SMILESC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)OCC(=O)c1ccc[nH]1
InChIInChI=1S/C15H15FN2O5S/c1-10(15(20)23-9-14(19)13-3-2-8-17-13)18-24(21,22)12-6-4-11(16)5-7-12/h2-8,10,17-18H,9H2,1H3/t10-/m0/s1
InChIKeyPJZNEOYKFRHTBL-JTQLQIEISA-N
XLogP1.25
TPSA105.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 4847822
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate
CID 7987303
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 2125065
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate
CID 2394928
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-(methylsulfamoyl)benzoate
CID 5170457
methyl 4-{[(2-fluorophenyl)(propyl)amino]sulfonyl}-1H-pyrrole-2-carboxylate
CID 20938589
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 4011555
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate
CID 2475661
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 2467735
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(3-cyanophenyl)sulfonylamino]acetate
CID 2547421
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 3899886
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 2488513

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate?
The IUPAC name of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate (CID 7609167) is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate?
The canonical SMILES for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate is C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)OCC(=O)c1ccc[nH]1.
What is the InChIKey of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate?
The InChIKey is PJZNEOYKFRHTBL-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15FN2O5S/c1-10(15(20)23-9-14(19)13-3-2-8-17-13)18-24(21,22)12-6-4-11(16)5-7-12/h2-8,10,17-18H,9H2,1H3/t10-/m0/s1.
What are the key properties of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate?
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate has a molecular weight of 354.36 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 7609167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).