N-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]benzenesulfonamide

C20H22N4O3S — CID 4106272

IUPACN-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]benzenesulfonamide
SMILESCC1CN(c2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)CC(C)O1
InChIInChI=1S/C20H22N4O3S/c1-14-12-24(13-15(2)27-14)20-19(21-17-10-6-7-11-18(17)22-20)23-28(25,26)16-8-4-3-5-9-16/h3-11,14-15H,12-13H2,1-2H3,(H,21,23)
InChIKeyKESGTFLCJZSQQN-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.04
Rot. Bonds4

About N-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]benzenesulfonamide

N-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 4106272) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]benzenesulfonamide
PubChem CID4106272
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]benzenesulfonamide
SMILESCC1CN(c2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)CC(C)O1
InChIInChI=1S/C20H22N4O3S/c1-14-12-24(13-15(2)27-14)20-19(21-17-10-6-7-11-18(17)22-20)23-28(25,26)16-8-4-3-5-9-16/h3-11,14-15H,12-13H2,1-2H3,(H,21,23)
InChIKeyKESGTFLCJZSQQN-UHFFFAOYSA-N
XLogP3.04
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of N-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]benzenesulfonamide (CID 4106272) is N-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]benzenesulfonamide is CC1CN(c2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)CC(C)O1.
What is the InChIKey of N-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is KESGTFLCJZSQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-14-12-24(13-15(2)27-14)20-19(21-17-10-6-7-11-18(17)22-20)23-28(25,26)16-8-4-3-5-9-16/h3-11,14-15H,12-13H2,1-2H3,(H,21,23).
What are the key properties of N-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]benzenesulfonamide?
N-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 398.49 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 4106272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).