4-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]morpholine

C18H16BrN3O3S — CID 90667917

IUPAC4-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]morpholine
SMILESO=S(=O)(c1ccc(Br)cc1)c1nc2ccccc2nc1N1CCOCC1
InChIInChI=1S/C18H16BrN3O3S/c19-13-5-7-14(8-6-13)26(23,24)18-17(22-9-11-25-12-10-22)20-15-3-1-2-4-16(15)21-18/h1-8H,9-12H2
InChIKeyOHSSJAOWYLQWKW-UHFFFAOYSA-N
MW434.32 g/mol
LogP3.06
Rot. Bonds3

About 4-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]morpholine

4-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]morpholine (PubChem CID 90667917) has the molecular formula C18H16BrN3O3S and a molecular weight of 434.32 g/mol. Its IUPAC name is 4-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]morpholine.

Molecular Properties

Compound Name4-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]morpholine
PubChem CID90667917
Molecular FormulaC18H16BrN3O3S
Molecular Weight434.32 g/mol
Exact Mass433.01
IUPAC Name4-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]morpholine
SMILESO=S(=O)(c1ccc(Br)cc1)c1nc2ccccc2nc1N1CCOCC1
InChIInChI=1S/C18H16BrN3O3S/c19-13-5-7-14(8-6-13)26(23,24)18-17(22-9-11-25-12-10-22)20-15-3-1-2-4-16(15)21-18/h1-8H,9-12H2
InChIKeyOHSSJAOWYLQWKW-UHFFFAOYSA-N
XLogP3.06
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.32
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]morpholine?
The IUPAC name of 4-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]morpholine (CID 90667917) is 4-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]morpholine.
What is the SMILES notation for 4-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]morpholine?
The canonical SMILES for 4-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]morpholine is O=S(=O)(c1ccc(Br)cc1)c1nc2ccccc2nc1N1CCOCC1.
What is the InChIKey of 4-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]morpholine?
The InChIKey is OHSSJAOWYLQWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O3S/c19-13-5-7-14(8-6-13)26(23,24)18-17(22-9-11-25-12-10-22)20-15-3-1-2-4-16(15)21-18/h1-8H,9-12H2.
What are the key properties of 4-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]morpholine?
4-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]morpholine has a molecular weight of 434.32 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-bromophenyl)sulfonylquinoxalin-2-yl]morpholine is sourced from PubChem (CID 90667917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).