[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate

C14H12Cl2N2O5S — CID 2394928

IUPAC[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate
SMILESO=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)OCC(=O)c1ccc[nH]1
InChIInChI=1S/C14H12Cl2N2O5S/c15-9-3-1-4-10(16)14(9)24(21,22)18-7-13(20)23-8-12(19)11-5-2-6-17-11/h1-6,17-18H,7-8H2
InChIKeyVYHCAUHELUQSFC-UHFFFAOYSA-N
MW391.23 g/mol
LogP2.03
Rot. Bonds7

About [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate

[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate (PubChem CID 2394928) has the molecular formula C14H12Cl2N2O5S and a molecular weight of 391.23 g/mol. Its IUPAC name is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate
PubChem CID2394928
Molecular FormulaC14H12Cl2N2O5S
Molecular Weight391.23 g/mol
Exact Mass389.98
IUPAC Name[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate
SMILESO=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)OCC(=O)c1ccc[nH]1
InChIInChI=1S/C14H12Cl2N2O5S/c15-9-3-1-4-10(16)14(9)24(21,22)18-7-13(20)23-8-12(19)11-5-2-6-17-11/h1-6,17-18H,7-8H2
InChIKeyVYHCAUHELUQSFC-UHFFFAOYSA-N
XLogP2.03
TPSA105.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.23
LogP ≤ 52.03
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-[(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] 3-(benzenesulfonamido)propanoate
CID 7909311
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-bromo-2-chlorophenyl)sulfonylamino]acetate
CID 16282702
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate
CID 7414322
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate
CID 7609167
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 11908704

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate?
The IUPAC name of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate (CID 2394928) is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate.
What is the SMILES notation for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate?
The canonical SMILES for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate is O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)OCC(=O)c1ccc[nH]1.
What is the InChIKey of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate?
The InChIKey is VYHCAUHELUQSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O5S/c15-9-3-1-4-10(16)14(9)24(21,22)18-7-13(20)23-8-12(19)11-5-2-6-17-11/h1-6,17-18H,7-8H2.
What are the key properties of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate?
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate has a molecular weight of 391.23 g/mol, XLogP of 2.03, 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] 2-[(2,6-dichlorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 2394928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).