2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide

C23H19N5O2S — CID 122690615

IUPAC2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide
SMILESCn1ccc2ccc(-c3cc(Nc4ccccc4S(N)(=O)=O)cc4nccnc34)cc21
InChIInChI=1S/C23H19N5O2S/c1-28-11-8-15-6-7-16(12-21(15)28)18-13-17(14-20-23(18)26-10-9-25-20)27-19-4-2-3-5-22(19)31(24,29)30/h2-14,27H,1H3,(H2,24,29,30)
InChIKeyLOFFFFYZOXJZCW-UHFFFAOYSA-N
MW429.51 g/mol
LogP4.18
Rot. Bonds4

About 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide

2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide (PubChem CID 122690615) has the molecular formula C23H19N5O2S and a molecular weight of 429.51 g/mol. Its IUPAC name is 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide
PubChem CID122690615
Molecular FormulaC23H19N5O2S
Molecular Weight429.51 g/mol
Exact Mass429.13
IUPAC Name2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide
SMILESCn1ccc2ccc(-c3cc(Nc4ccccc4S(N)(=O)=O)cc4nccnc34)cc21
InChIInChI=1S/C23H19N5O2S/c1-28-11-8-15-6-7-16(12-21(15)28)18-13-17(14-20-23(18)26-10-9-25-20)27-19-4-2-3-5-22(19)31(24,29)30/h2-14,27H,1H3,(H2,24,29,30)
InChIKeyLOFFFFYZOXJZCW-UHFFFAOYSA-N
XLogP4.18
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide?
The IUPAC name of 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide (CID 122690615) is 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide.
What is the SMILES notation for 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide?
The canonical SMILES for 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide is Cn1ccc2ccc(-c3cc(Nc4ccccc4S(N)(=O)=O)cc4nccnc34)cc21.
What is the InChIKey of 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide?
The InChIKey is LOFFFFYZOXJZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2S/c1-28-11-8-15-6-7-16(12-21(15)28)18-13-17(14-20-23(18)26-10-9-25-20)27-19-4-2-3-5-22(19)31(24,29)30/h2-14,27H,1H3,(H2,24,29,30).
What are the key properties of 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide?
2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide has a molecular weight of 429.51 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide is sourced from PubChem (CID 122690615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).