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

C25H23N5O2S — CID 134463139

IUPACN,N-dimethyl-2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1
InChIInChI=1S/C25H23N5O2S/c1-29(2)33(31,32)24-7-5-4-6-21(24)28-19-15-20(25-22(16-19)26-11-12-27-25)18-9-8-17-10-13-30(3)23(17)14-18/h4-16,28H,1-3H3
InChIKeyLJLUEJBAGDKJNM-UHFFFAOYSA-N
MW457.56 g/mol
LogP4.78
Rot. Bonds5

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

N,N-dimethyl-2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide (PubChem CID 134463139) has the molecular formula C25H23N5O2S and a molecular weight of 457.56 g/mol. Its IUPAC name is N,N-dimethyl-2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide
PubChem CID134463139
Molecular FormulaC25H23N5O2S
Molecular Weight457.56 g/mol
Exact Mass457.16
IUPAC NameN,N-dimethyl-2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccccc1Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1
InChIInChI=1S/C25H23N5O2S/c1-29(2)33(31,32)24-7-5-4-6-21(24)28-19-15-20(25-22(16-19)26-11-12-27-25)18-9-8-17-10-13-30(3)23(17)14-18/h4-16,28H,1-3H3
InChIKeyLJLUEJBAGDKJNM-UHFFFAOYSA-N
XLogP4.78
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-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 N,N-dimethyl-2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide (CID 134463139) is N,N-dimethyl-2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide is CN(C)S(=O)(=O)c1ccccc1Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1.
What is the InChIKey of N,N-dimethyl-2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide?
The InChIKey is LJLUEJBAGDKJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2S/c1-29(2)33(31,32)24-7-5-4-6-21(24)28-19-15-20(25-22(16-19)26-11-12-27-25)18-9-8-17-10-13-30(3)23(17)14-18/h4-16,28H,1-3H3.
What are the key properties of N,N-dimethyl-2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide?
N,N-dimethyl-2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide has a molecular weight of 457.56 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide is sourced from PubChem (CID 134463139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).