3-(2,5-dichlorophenyl)sulfonyl-1-[(4-fluorophenyl)methyl]-2H-imidazo[4,5-b]quinoxaline

C22H15Cl2FN4O2S — CID 2025211

IUPAC3-(2,5-dichlorophenyl)sulfonyl-1-[(4-fluorophenyl)methyl]-2H-imidazo[4,5-b]quinoxaline
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)N1CN(Cc2ccc(F)cc2)c2nc3ccccc3nc21
InChIInChI=1S/C22H15Cl2FN4O2S/c23-15-7-10-17(24)20(11-15)32(30,31)29-13-28(12-14-5-8-16(25)9-6-14)21-22(29)27-19-4-2-1-3-18(19)26-21/h1-11H,12-13H2
InChIKeyDAQRUDQBRSLCKB-UHFFFAOYSA-N
MW489.36 g/mol
LogP5.25
Rot. Bonds4

About 3-(2,5-dichlorophenyl)sulfonyl-1-[(4-fluorophenyl)methyl]-2H-imidazo[4,5-b]quinoxaline

3-(2,5-dichlorophenyl)sulfonyl-1-[(4-fluorophenyl)methyl]-2H-imidazo[4,5-b]quinoxaline (PubChem CID 2025211) has the molecular formula C22H15Cl2FN4O2S and a molecular weight of 489.36 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)sulfonyl-1-[(4-fluorophenyl)methyl]-2H-imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)sulfonyl-1-[(4-fluorophenyl)methyl]-2H-imidazo[4,5-b]quinoxaline
PubChem CID2025211
Molecular FormulaC22H15Cl2FN4O2S
Molecular Weight489.36 g/mol
Exact Mass488.03
IUPAC Name3-(2,5-dichlorophenyl)sulfonyl-1-[(4-fluorophenyl)methyl]-2H-imidazo[4,5-b]quinoxaline
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)N1CN(Cc2ccc(F)cc2)c2nc3ccccc3nc21
InChIInChI=1S/C22H15Cl2FN4O2S/c23-15-7-10-17(24)20(11-15)32(30,31)29-13-28(12-14-5-8-16(25)9-6-14)21-22(29)27-19-4-2-1-3-18(19)26-21/h1-11H,12-13H2
InChIKeyDAQRUDQBRSLCKB-UHFFFAOYSA-N
XLogP5.25
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.36
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-{3-[4-(2-fluorophenyl)-1-piperazinyl]-2-quinoxalinyl}benzenesulfonamide
CID 1325905
4-chloro-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)quinoxalin-2-yl]benzenesulfonamide
CID 2096996
[3-(3-Benzylimidazol-3-ium-1-yl)quinoxalin-2-yl]-(4-chlorophenyl)sulfonylazanide
CID 1390207
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
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CID 2023935
N-(1-benzyl-1H-pyrrolo[2,3-b]quinoxalin-2-yl)-4-chlorobenzenesulfonamide
CID 2044030
1-butan-2-yl-3-(4-chlorophenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline
CID 3918209
1-(3-Chlorobenzenesulfonyl)-2-[(1E)-2-(2-chlorophenyl)ethenyl]-1H-1,3-benzodiazole
CID 16034071
3-(benzenesulfonyl)-1-(2,4-difluorophenyl)-2H-imidazo[4,5-b]quinoxaline
CID 2312058
1-(4-fluorobenzyl)-3-(phenylsulfonyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 2024732
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CID 145967973

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)sulfonyl-1-[(4-fluorophenyl)methyl]-2H-imidazo[4,5-b]quinoxaline?
The IUPAC name of 3-(2,5-dichlorophenyl)sulfonyl-1-[(4-fluorophenyl)methyl]-2H-imidazo[4,5-b]quinoxaline (CID 2025211) is 3-(2,5-dichlorophenyl)sulfonyl-1-[(4-fluorophenyl)methyl]-2H-imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 3-(2,5-dichlorophenyl)sulfonyl-1-[(4-fluorophenyl)methyl]-2H-imidazo[4,5-b]quinoxaline?
The canonical SMILES for 3-(2,5-dichlorophenyl)sulfonyl-1-[(4-fluorophenyl)methyl]-2H-imidazo[4,5-b]quinoxaline is O=S(=O)(c1cc(Cl)ccc1Cl)N1CN(Cc2ccc(F)cc2)c2nc3ccccc3nc21.
What is the InChIKey of 3-(2,5-dichlorophenyl)sulfonyl-1-[(4-fluorophenyl)methyl]-2H-imidazo[4,5-b]quinoxaline?
The InChIKey is DAQRUDQBRSLCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2FN4O2S/c23-15-7-10-17(24)20(11-15)32(30,31)29-13-28(12-14-5-8-16(25)9-6-14)21-22(29)27-19-4-2-1-3-18(19)26-21/h1-11H,12-13H2.
What are the key properties of 3-(2,5-dichlorophenyl)sulfonyl-1-[(4-fluorophenyl)methyl]-2H-imidazo[4,5-b]quinoxaline?
3-(2,5-dichlorophenyl)sulfonyl-1-[(4-fluorophenyl)methyl]-2H-imidazo[4,5-b]quinoxaline has a molecular weight of 489.36 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)sulfonyl-1-[(4-fluorophenyl)methyl]-2H-imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 2025211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).