3-(benzenesulfonyl)-1-(oxolan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline

C20H20N4O3S — CID 5110043

IUPAC3-(benzenesulfonyl)-1-(oxolan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline
SMILESO=S(=O)(c1ccccc1)N1CN(CC2CCCO2)c2nc3ccccc3nc21
InChIInChI=1S/C20H20N4O3S/c25-28(26,16-8-2-1-3-9-16)24-14-23(13-15-7-6-12-27-15)19-20(24)22-18-11-5-4-10-17(18)21-19/h1-5,8-11,15H,6-7,12-14H2
InChIKeyXZALGZCJLBXAAX-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.78
Rot. Bonds4

About 3-(benzenesulfonyl)-1-(oxolan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline

3-(benzenesulfonyl)-1-(oxolan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline (PubChem CID 5110043) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1-(oxolan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1-(oxolan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline
PubChem CID5110043
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name3-(benzenesulfonyl)-1-(oxolan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline
SMILESO=S(=O)(c1ccccc1)N1CN(CC2CCCO2)c2nc3ccccc3nc21
InChIInChI=1S/C20H20N4O3S/c25-28(26,16-8-2-1-3-9-16)24-14-23(13-15-7-6-12-27-15)19-20(24)22-18-11-5-4-10-17(18)21-19/h1-5,8-11,15H,6-7,12-14H2
InChIKeyXZALGZCJLBXAAX-UHFFFAOYSA-N
XLogP2.78
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(Benzenesulfonyl)-8-quinoxalin-2-yl-1-oxa-4,8-diazaspiro[4.5]decane
CID 57391006
N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 663384
1-((tetrahydrofuran-2-yl)methyl)-3-(thiophen-2-ylsulfonyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 664103
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
1-(3-Isopropoxy-propyl)-3-(thiophene-2-sulfonyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 2005962
3-(3-chlorophenyl)sulfonyl-1-(3-propan-2-yloxypropyl)-2H-imidazo[4,5-b]quinoxaline
CID 2021218
1-((3-chlorophenyl)sulfonyl)-3-(2-methoxyethyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 2023935
1-((4-chlorophenyl)sulfonyl)-3-(3-ethoxypropyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 2032377
1-((4-chlorophenyl)sulfonyl)-3-((tetrahydrofuran-2-yl)methyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 3312244
4-methyl-N-{3-[(tetrahydrofuran-2-ylmethyl)amino]quinoxalin-2-yl}benzenesulfonamide
CID 3337296
3-Methyl-N-{3-[(tetrahydro-furan-2-ylmethyl)-amino]-quinoxalin-2-yl}-benzenesulfonamide
CID 3564142

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-1-(oxolan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline?
The IUPAC name of 3-(benzenesulfonyl)-1-(oxolan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline (CID 5110043) is 3-(benzenesulfonyl)-1-(oxolan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 3-(benzenesulfonyl)-1-(oxolan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline?
The canonical SMILES for 3-(benzenesulfonyl)-1-(oxolan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline is O=S(=O)(c1ccccc1)N1CN(CC2CCCO2)c2nc3ccccc3nc21.
What is the InChIKey of 3-(benzenesulfonyl)-1-(oxolan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline?
The InChIKey is XZALGZCJLBXAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c25-28(26,16-8-2-1-3-9-16)24-14-23(13-15-7-6-12-27-15)19-20(24)22-18-11-5-4-10-17(18)21-19/h1-5,8-11,15H,6-7,12-14H2.
What are the key properties of 3-(benzenesulfonyl)-1-(oxolan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline?
3-(benzenesulfonyl)-1-(oxolan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline has a molecular weight of 396.47 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-1-(oxolan-2-ylmethyl)-2H-imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 5110043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).