4-methyl-N-[4-[(2-quinolin-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide

C28H22N6O2S — CID 71092380

IUPAC4-methyl-N-[4-[(2-quinolin-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3nccn4cc(-c5ccc6ccccc6n5)nc34)cc2)cc1
InChIInChI=1S/C28H22N6O2S/c1-19-6-13-23(14-7-19)37(35,36)33-22-11-9-21(10-12-22)30-27-28-32-26(18-34(28)17-16-29-27)25-15-8-20-4-2-3-5-24(20)31-25/h2-18,33H,1H3,(H,29,30)
InChIKeyZMUQAJHPMXZMNS-UHFFFAOYSA-N
MW506.59 g/mol
LogP5.80
Rot. Bonds6

About 4-methyl-N-[4-[(2-quinolin-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide

4-methyl-N-[4-[(2-quinolin-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide (PubChem CID 71092380) has the molecular formula C28H22N6O2S and a molecular weight of 506.59 g/mol. Its IUPAC name is 4-methyl-N-[4-[(2-quinolin-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[4-[(2-quinolin-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide
PubChem CID71092380
Molecular FormulaC28H22N6O2S
Molecular Weight506.59 g/mol
Exact Mass506.15
IUPAC Name4-methyl-N-[4-[(2-quinolin-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3nccn4cc(-c5ccc6ccccc6n5)nc34)cc2)cc1
InChIInChI=1S/C28H22N6O2S/c1-19-6-13-23(14-7-19)37(35,36)33-22-11-9-21(10-12-22)30-27-28-32-26(18-34(28)17-16-29-27)25-15-8-20-4-2-3-5-24(20)31-25/h2-18,33H,1H3,(H,29,30)
InChIKeyZMUQAJHPMXZMNS-UHFFFAOYSA-N
XLogP5.80
TPSA101.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.59
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-methyl-N-[4-[(2-quinolin-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]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

4-methyl-N-[4-[(6-phenylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide
CID 58617066
4-N-(2-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-yl)benzene-1,4-diamine
CID 118717142
4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1398612
4-chloro-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1133668
4-methyl-N-(4-pyridin-2-ylphenyl)benzenesulfonamide
CID 169370373
N-[4-[[3-(4-methylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 1241528
N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122284597
4-methyl-N-[4-[(2-methylacridin-9-yl)amino]phenyl]benzenesulfonamide
CID 127036796
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-phenylbenzenesulfonamide
CID 25038187
N-[3-[4-(diethylsulfamoyl)anilino]quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 2319111
4-methyl-N-(1-phenylimidazol-2-yl)benzenesulfonamide
CID 10519258

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[(2-quinolin-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[4-[(2-quinolin-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide (CID 71092380) is 4-methyl-N-[4-[(2-quinolin-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[4-[(2-quinolin-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[4-[(2-quinolin-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Nc3nccn4cc(-c5ccc6ccccc6n5)nc34)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-[(2-quinolin-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide?
The InChIKey is ZMUQAJHPMXZMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N6O2S/c1-19-6-13-23(14-7-19)37(35,36)33-22-11-9-21(10-12-22)30-27-28-32-26(18-34(28)17-16-29-27)25-15-8-20-4-2-3-5-24(20)31-25/h2-18,33H,1H3,(H,29,30).
What are the key properties of 4-methyl-N-[4-[(2-quinolin-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide?
4-methyl-N-[4-[(2-quinolin-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide has a molecular weight of 506.59 g/mol, XLogP of 5.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[(2-quinolin-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 71092380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).