1-benzyl-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline

C20H16N4O2S2 — CID 2011053

IUPAC1-benzyl-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline
SMILESO=S(=O)(c1cccs1)N1CN(Cc2ccccc2)c2nc3ccccc3nc21
InChIInChI=1S/C20H16N4O2S2/c25-28(26,18-11-6-12-27-18)24-14-23(13-15-7-2-1-3-8-15)19-20(24)22-17-10-5-4-9-16(17)21-19/h1-12H,13-14H2
InChIKeyFYLCZVDXMVBJTA-UHFFFAOYSA-N
MW408.51 g/mol
LogP3.86
Rot. Bonds4

About 1-benzyl-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline

1-benzyl-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline (PubChem CID 2011053) has the molecular formula C20H16N4O2S2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 1-benzyl-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline.

Molecular Properties

Compound Name1-benzyl-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline
PubChem CID2011053
Molecular FormulaC20H16N4O2S2
Molecular Weight408.51 g/mol
Exact Mass408.07
IUPAC Name1-benzyl-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline
SMILESO=S(=O)(c1cccs1)N1CN(Cc2ccccc2)c2nc3ccccc3nc21
InChIInChI=1S/C20H16N4O2S2/c25-28(26,18-11-6-12-27-18)24-14-23(13-15-7-2-1-3-8-15)19-20(24)22-17-10-5-4-9-16(17)21-19/h1-12H,13-14H2
InChIKeyFYLCZVDXMVBJTA-UHFFFAOYSA-N
XLogP3.86
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-Benzyl-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine
CID 2021006
2-(Benzenesulfonyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetonitrile
CID 663431
[3-(1-butyl-1H-imidazol-3-ium-3-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)azanide
CID 3751260
10-(benzenesulfonyl)-N-benzyl-N-methyl-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-amine
CID 16019580
4-(1-benzyl-1H-benzoimidazole-5-sulfonyl)-5-methylsulfanyl-thiophene-2-carboxamidine
CID 21057059
4-(3-benzyl-3H-benzoimidazole-5-sulfonyl)-5-methylsulfanyl-thiophene-2-carboxamidine
CID 21057104
2-(4-Methylphenyl)sulfonyl-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetonitrile
CID 661002
2-(3,4-Dimethylphenyl)sulfonyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetonitrile
CID 663530
1-((tetrahydrofuran-2-yl)methyl)-3-(thiophen-2-ylsulfonyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 664103
N-[(2Z)-3-(prop-2-en-1-ylamino)quinoxalin-2(1H)-ylidene]thiophene-2-sulfonamide
CID 664470
1-(2-Methylpropyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine
CID 664639
N-(3-(butylamino)quinoxalin-2-yl)thiophene-2-sulfonamide
CID 664661

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline?
The IUPAC name of 1-benzyl-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline (CID 2011053) is 1-benzyl-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline.
What is the SMILES notation for 1-benzyl-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline?
The canonical SMILES for 1-benzyl-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline is O=S(=O)(c1cccs1)N1CN(Cc2ccccc2)c2nc3ccccc3nc21.
What is the InChIKey of 1-benzyl-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline?
The InChIKey is FYLCZVDXMVBJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S2/c25-28(26,18-11-6-12-27-18)24-14-23(13-15-7-2-1-3-8-15)19-20(24)22-17-10-5-4-9-16(17)21-19/h1-12H,13-14H2.
What are the key properties of 1-benzyl-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline?
1-benzyl-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline has a molecular weight of 408.51 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline is sourced from PubChem (CID 2011053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).