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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Related Compounds

N-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 4599321
N-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 7392711
4-chloro-N-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 3700003
N-[3-(4-pyrazol-1-ylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 133277971
4-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]butanoic acid
CID 122058685
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-amine
CID 102987519
4-bromo-N-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 25037574
2-(4-chlorophenyl)sulfonyl-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetonitrile
CID 4667074
3-(2,6-dimethylmorpholin-4-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinoxalin-2-amine
CID 71846707
3-(2,6-dimethylmorpholin-4-yl)-N-[2-(triazol-1-yl)ethyl]quinoxalin-2-amine
CID 133449275
N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]benzenesulfonamide
CID 3421168
3-[3-[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]propyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137248421

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).