2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide

C29H30N6O2S — CID 122690768

IUPAC2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
SMILESCN1CCC(CNS(=O)(=O)c2ccccc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)C1
InChIInChI=1S/C29H30N6O2S/c1-34-13-9-20(19-34)18-32-38(36,37)28-6-4-3-5-25(28)33-23-16-24(29-26(17-23)30-11-12-31-29)22-8-7-21-10-14-35(2)27(21)15-22/h3-8,10-12,14-17,20,32-33H,9,13,18-19H2,1-2H3
InChIKeyBPOIDUJZYRUEHH-UHFFFAOYSA-N
MW526.67 g/mol
LogP4.76
Rot. Bonds7

About 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide

2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide (PubChem CID 122690768) has the molecular formula C29H30N6O2S and a molecular weight of 526.67 g/mol. Its IUPAC name is 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
PubChem CID122690768
Molecular FormulaC29H30N6O2S
Molecular Weight526.67 g/mol
Exact Mass526.22
IUPAC Name2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
SMILESCN1CCC(CNS(=O)(=O)c2ccccc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)C1
InChIInChI=1S/C29H30N6O2S/c1-34-13-9-20(19-34)18-32-38(36,37)28-6-4-3-5-25(28)33-23-16-24(29-26(17-23)30-11-12-31-29)22-8-7-21-10-14-35(2)27(21)15-22/h3-8,10-12,14-17,20,32-33H,9,13,18-19H2,1-2H3
InChIKeyBPOIDUJZYRUEHH-UHFFFAOYSA-N
XLogP4.76
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.67
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-(pyrimidin-5-ylmethyl)benzenesulfonamide
CID 122690681
4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-(6-pyrrolidin-1-ylquinolin-5-yl)benzenesulfonamide
CID 134817545
Quinoline-8-sulfonic acid [3-(1-methyl-piperidin-4-yl)-1H-indol-5-yl]-amide
CID 10295665
4-[1-Methyl-5-(quinoline-8-sulfonylamino)-1H-benzoimidazol-2-ylmethyl]-benzamidine
CID 11730381
11-(Benzenesulfonyl)-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene
CID 53327952
11-(4-Methylphenyl)sulfonyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene
CID 53327953
11-(2-Methylphenyl)sulfonyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene
CID 53327973
11-(3-Methylphenyl)sulfonyl-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene
CID 53327974
4-[(2S)-2-[2-[4-(1H-indol-4-yl)piperazin-1-yl]ethyl]pyrrolidin-1-yl]sulfonylisoquinoline
CID 118626042
4-[(2R)-2-[2-[4-(1H-indol-4-yl)piperazin-1-yl]ethyl]pyrrolidin-1-yl]sulfonylisoquinoline
CID 118626101
2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 122690579
2-[[8-(1-Methylindol-6-yl)quinoxalin-6-yl]amino]benzenesulfonamide
CID 122690615

Frequently Asked Questions

What is the IUPAC name of 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide (CID 122690768) is 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide is CN1CCC(CNS(=O)(=O)c2ccccc2Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)C1.
What is the InChIKey of 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide?
The InChIKey is BPOIDUJZYRUEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O2S/c1-34-13-9-20(19-34)18-32-38(36,37)28-6-4-3-5-25(28)33-23-16-24(29-26(17-23)30-11-12-31-29)22-8-7-21-10-14-35(2)27(21)15-22/h3-8,10-12,14-17,20,32-33H,9,13,18-19H2,1-2H3.
What are the key properties of 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide?
2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide has a molecular weight of 526.67 g/mol, XLogP of 4.76, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 122690768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).