N-[3-(4-butan-2-ylanilino)quinoxalin-2-yl]benzenesulfonamide

C24H24N4O2S — CID 3841697

IUPACN-[3-(4-butan-2-ylanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESCCC(C)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H24N4O2S/c1-3-17(2)18-13-15-19(16-14-18)25-23-24(27-22-12-8-7-11-21(22)26-23)28-31(29,30)20-9-5-4-6-10-20/h4-17H,3H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyVSMRZPLERYOSES-UHFFFAOYSA-N
MW432.55 g/mol
LogP5.69
Rot. Bonds7

About N-[3-(4-butan-2-ylanilino)quinoxalin-2-yl]benzenesulfonamide

N-[3-(4-butan-2-ylanilino)quinoxalin-2-yl]benzenesulfonamide (PubChem CID 3841697) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[3-(4-butan-2-ylanilino)quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-butan-2-ylanilino)quinoxalin-2-yl]benzenesulfonamide
PubChem CID3841697
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC NameN-[3-(4-butan-2-ylanilino)quinoxalin-2-yl]benzenesulfonamide
SMILESCCC(C)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H24N4O2S/c1-3-17(2)18-13-15-19(16-14-18)25-23-24(27-22-12-8-7-11-21(22)26-23)28-31(29,30)20-9-5-4-6-10-20/h4-17H,3H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyVSMRZPLERYOSES-UHFFFAOYSA-N
XLogP5.69
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(4-butan-2-ylanilino)quinoxalin-2-yl]benzenesulfonamide with MolForge

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Related Compounds

N-[3-[4-[(2S)-butan-2-yl]anilino]quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1400090
N-[3-[4-(hydroxyamino)anilino]quinoxalin-2-yl]benzenesulfonamide
CID 136598761
N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1325943
4-[4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]phenyl]-4-oxobutanoic acid
CID 58274233
N-[3-[4-(diethylsulfamoyl)anilino]quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 2319111
N-[3-(4-ethoxyanilino)quinoxalin-2-yl]-4-fluorobenzenesulfonamide
CID 1398916
N-(3-butan-2-yloxyquinoxalin-2-yl)benzenesulfonamide
CID 2828955
4-chloro-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1133668
4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1398612
4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 25042708
4-[[3-(benzenesulfonamido)quinoxalin-2-yl]amino]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 2328420
4-bromo-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 2837515

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-butan-2-ylanilino)quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of N-[3-(4-butan-2-ylanilino)quinoxalin-2-yl]benzenesulfonamide (CID 3841697) is N-[3-(4-butan-2-ylanilino)quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-(4-butan-2-ylanilino)quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[3-(4-butan-2-ylanilino)quinoxalin-2-yl]benzenesulfonamide is CCC(C)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[3-(4-butan-2-ylanilino)quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is VSMRZPLERYOSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-3-17(2)18-13-15-19(16-14-18)25-23-24(27-22-12-8-7-11-21(22)26-23)28-31(29,30)20-9-5-4-6-10-20/h4-17H,3H2,1-2H3,(H,25,26)(H,27,28).
What are the key properties of N-[3-(4-butan-2-ylanilino)quinoxalin-2-yl]benzenesulfonamide?
N-[3-(4-butan-2-ylanilino)quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 432.55 g/mol, XLogP of 5.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-butan-2-ylanilino)quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 3841697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).