3-(3-chlorophenyl)sulfonyl-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline

C18H17ClN4O3S — CID 2023935

IUPAC3-(3-chlorophenyl)sulfonyl-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline
SMILESCOCCN1CN(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc21
InChIInChI=1S/C18H17ClN4O3S/c1-26-10-9-22-12-23(27(24,25)14-6-4-5-13(19)11-14)18-17(22)20-15-7-2-3-8-16(15)21-18/h2-8,11H,9-10,12H2,1H3
InChIKeyOQGMZUSHCWNRKW-UHFFFAOYSA-N
MW404.88 g/mol
LogP2.90
Rot. Bonds5

About 3-(3-chlorophenyl)sulfonyl-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline

3-(3-chlorophenyl)sulfonyl-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline (PubChem CID 2023935) has the molecular formula C18H17ClN4O3S and a molecular weight of 404.88 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfonyl-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfonyl-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline
PubChem CID2023935
Molecular FormulaC18H17ClN4O3S
Molecular Weight404.88 g/mol
Exact Mass404.07
IUPAC Name3-(3-chlorophenyl)sulfonyl-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline
SMILESCOCCN1CN(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc21
InChIInChI=1S/C18H17ClN4O3S/c1-26-10-9-22-12-23(27(24,25)14-6-4-5-13(19)11-14)18-17(22)20-15-7-2-3-8-16(15)21-18/h2-8,11H,9-10,12H2,1H3
InChIKeyOQGMZUSHCWNRKW-UHFFFAOYSA-N
XLogP2.90
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(allylamino)-2-quinoxalinyl]-4-chlorobenzenesulfonamide
CID 2055374
2-{4-[(4-Chlorophenyl)sulfonyl]piperazino}-3-ethylquinoxaline
CID 2808993
1-(phenylsulfonyl)-3-[3-(propan-2-yloxy)propyl]-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 664320
3-(benzenesulfonyl)-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline
CID 664837
3-chloro-N-[(2Z)-3-[(2-hydroxyethyl)amino]quinoxalin-2(1H)-ylidene]benzenesulfonamide
CID 666061
3-chloro-N-[3-(2-morpholin-4-ylethylamino)quinoxalin-2-yl]benzenesulfonamide
CID 666487
3-[(3-chlorophenyl)sulfonyl]-1-[2-(morpholin-4-yl)ethyl]-1H-pyrrolo[2,3-b]quinoxalin-2-amine
CID 666843
2-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-1-methylbenzimidazole
CID 1462197
[3-(3-butyl-1H-imidazol-3-ium-1-yl)quinoxalin-2-yl][(4-chlorophenyl)sulfonyl]azanide
CID 1604929
2,5-dichloro-N-(3-((3-methoxypropyl)amino)quinoxalin-2-yl)benzenesulfonamide
CID 1621617
1-allyl-3-((3-chlorophenyl)sulfonyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 1866414
3-(3-chlorophenyl)sulfonyl-1-(3-propan-2-yloxypropyl)-2H-imidazo[4,5-b]quinoxaline
CID 2021218

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfonyl-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline?
The IUPAC name of 3-(3-chlorophenyl)sulfonyl-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline (CID 2023935) is 3-(3-chlorophenyl)sulfonyl-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 3-(3-chlorophenyl)sulfonyl-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline?
The canonical SMILES for 3-(3-chlorophenyl)sulfonyl-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline is COCCN1CN(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc21.
What is the InChIKey of 3-(3-chlorophenyl)sulfonyl-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline?
The InChIKey is OQGMZUSHCWNRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3S/c1-26-10-9-22-12-23(27(24,25)14-6-4-5-13(19)11-14)18-17(22)20-15-7-2-3-8-16(15)21-18/h2-8,11H,9-10,12H2,1H3.
What are the key properties of 3-(3-chlorophenyl)sulfonyl-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline?
3-(3-chlorophenyl)sulfonyl-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline has a molecular weight of 404.88 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfonyl-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 2023935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).