[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide

C24H21N4O4S- — CID 2011279

About [3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide

[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide (PubChem CID 2011279) has the molecular formula C24H21N4O4S- and a molecular weight of 461.52 g/mol. Its IUPAC name is [3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide.

Molecular Properties

• Compound Name: [3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide
• PubChem CID: 2011279
• Molecular Formula: C24H21N4O4S-
• Molecular Weight: 461.52 g/mol
• Exact Mass: 461.13
• IUPAC Name: [3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide
• SMILES: Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc3c(c2)OCCO3)cc1C
• InChI: InChI=1S/C24H21N4O4S/c1-15-7-9-18(13-16(15)2)33(29,30)28-24-23(26-19-5-3-4-6-20(19)27-24)25-17-8-10-21-22(14-17)32-12-11-31-21/h3-10,13-14H,11-12H2,1-2H3,(H-,25,26,27,28)/q-1
• InChIKey: HFYQOXOFHSDKML-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 104.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.52
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide?

The IUPAC name of [3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide (CID 2011279) is [3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide.

What is the SMILES notation for [3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide?

The canonical SMILES for [3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide is Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc3c(c2)OCCO3)cc1C.

What is the InChIKey of [3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide?

The InChIKey is HFYQOXOFHSDKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N4O4S/c1-15-7-9-18(13-16(15)2)33(29,30)28-24-23(26-19-5-3-4-6-20(19)27-24)25-17-8-10-21-22(14-17)32-12-11-31-21/h3-10,13-14H,11-12H2,1-2H3,(H-,25,26,27,28)/q-1.

What are the key properties of [3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide?

[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide has a molecular weight of 461.52 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide is sourced from PubChem (CID 2011279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).