[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(2-chlorophenyl)sulfonylpropanoate

C19H17ClN2O6S — CID 2483386

IUPAC[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(2-chlorophenyl)sulfonylpropanoate
SMILESO=C1CN(C(=O)COC(=O)CCS(=O)(=O)c2ccccc2Cl)c2ccccc2N1
InChIInChI=1S/C19H17ClN2O6S/c20-13-5-1-4-8-16(13)29(26,27)10-9-19(25)28-12-18(24)22-11-17(23)21-14-6-2-3-7-15(14)22/h1-8H,9-12H2,(H,21,23)
InChIKeyAVVIPPRNQNIBAS-UHFFFAOYSA-N
MW436.87 g/mol
LogP2.03
Rot. Bonds6

About [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(2-chlorophenyl)sulfonylpropanoate

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(2-chlorophenyl)sulfonylpropanoate (PubChem CID 2483386) has the molecular formula C19H17ClN2O6S and a molecular weight of 436.87 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(2-chlorophenyl)sulfonylpropanoate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(2-chlorophenyl)sulfonylpropanoate
PubChem CID2483386
Molecular FormulaC19H17ClN2O6S
Molecular Weight436.87 g/mol
Exact Mass436.05
IUPAC Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(2-chlorophenyl)sulfonylpropanoate
SMILESO=C1CN(C(=O)COC(=O)CCS(=O)(=O)c2ccccc2Cl)c2ccccc2N1
InChIInChI=1S/C19H17ClN2O6S/c20-13-5-1-4-8-16(13)29(26,27)10-9-19(25)28-12-18(24)22-11-17(23)21-14-6-2-3-7-15(14)22/h1-8H,9-12H2,(H,21,23)
InChIKeyAVVIPPRNQNIBAS-UHFFFAOYSA-N
XLogP2.03
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.87
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 4783361
CID 4783361
CID 2411156
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CID 2416704
CID 2416704
CID 2437686
CID 2437686
CID 2466494
CID 2466494
CID 2552849
CID 2552849
CID 3000180
CID 3000180
CID 3884477
CID 3884477
CID 9119145
CID 9119145
CID 4844521
CID 4844521
CID 1277446
CID 1277446
CID 5194086
CID 5194086

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(2-chlorophenyl)sulfonylpropanoate?
The IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(2-chlorophenyl)sulfonylpropanoate (CID 2483386) is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(2-chlorophenyl)sulfonylpropanoate.
What is the SMILES notation for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(2-chlorophenyl)sulfonylpropanoate?
The canonical SMILES for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(2-chlorophenyl)sulfonylpropanoate is O=C1CN(C(=O)COC(=O)CCS(=O)(=O)c2ccccc2Cl)c2ccccc2N1.
What is the InChIKey of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(2-chlorophenyl)sulfonylpropanoate?
The InChIKey is AVVIPPRNQNIBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O6S/c20-13-5-1-4-8-16(13)29(26,27)10-9-19(25)28-12-18(24)22-11-17(23)21-14-6-2-3-7-15(14)22/h1-8H,9-12H2,(H,21,23).
What are the key properties of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(2-chlorophenyl)sulfonylpropanoate?
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(2-chlorophenyl)sulfonylpropanoate has a molecular weight of 436.87 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 3-(2-chlorophenyl)sulfonylpropanoate is sourced from PubChem (CID 2483386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).