4-[3-(benzenesulfonyl)quinoxalin-2-yl]morpholine

C18H17N3O3S — CID 70691801

IUPAC4-[3-(benzenesulfonyl)quinoxalin-2-yl]morpholine
SMILESO=S(=O)(c1ccccc1)c1nc2ccccc2nc1N1CCOCC1
InChIInChI=1S/C18H17N3O3S/c22-25(23,14-6-2-1-3-7-14)18-17(21-10-12-24-13-11-21)19-15-8-4-5-9-16(15)20-18/h1-9H,10-13H2
InChIKeyYYGGKZVZBZYCCL-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.30
Rot. Bonds3

About 4-[3-(benzenesulfonyl)quinoxalin-2-yl]morpholine

4-[3-(benzenesulfonyl)quinoxalin-2-yl]morpholine (PubChem CID 70691801) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 4-[3-(benzenesulfonyl)quinoxalin-2-yl]morpholine.

Molecular Properties

Compound Name4-[3-(benzenesulfonyl)quinoxalin-2-yl]morpholine
PubChem CID70691801
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name4-[3-(benzenesulfonyl)quinoxalin-2-yl]morpholine
SMILESO=S(=O)(c1ccccc1)c1nc2ccccc2nc1N1CCOCC1
InChIInChI=1S/C18H17N3O3S/c22-25(23,14-6-2-1-3-7-14)18-17(21-10-12-24-13-11-21)19-15-8-4-5-9-16(15)20-18/h1-9H,10-13H2
InChIKeyYYGGKZVZBZYCCL-UHFFFAOYSA-N
XLogP2.30
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(benzenesulfonyl)quinoxalin-2-yl]morpholine?
The IUPAC name of 4-[3-(benzenesulfonyl)quinoxalin-2-yl]morpholine (CID 70691801) is 4-[3-(benzenesulfonyl)quinoxalin-2-yl]morpholine.
What is the SMILES notation for 4-[3-(benzenesulfonyl)quinoxalin-2-yl]morpholine?
The canonical SMILES for 4-[3-(benzenesulfonyl)quinoxalin-2-yl]morpholine is O=S(=O)(c1ccccc1)c1nc2ccccc2nc1N1CCOCC1.
What is the InChIKey of 4-[3-(benzenesulfonyl)quinoxalin-2-yl]morpholine?
The InChIKey is YYGGKZVZBZYCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c22-25(23,14-6-2-1-3-7-14)18-17(21-10-12-24-13-11-21)19-15-8-4-5-9-16(15)20-18/h1-9H,10-13H2.
What are the key properties of 4-[3-(benzenesulfonyl)quinoxalin-2-yl]morpholine?
4-[3-(benzenesulfonyl)quinoxalin-2-yl]morpholine has a molecular weight of 355.42 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(benzenesulfonyl)quinoxalin-2-yl]morpholine is sourced from PubChem (CID 70691801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).