N-[3-[4-[(2S)-butan-2-yl]anilino]quinoxalin-2-yl]-4-methoxybenzenesulfonamide

C25H26N4O3S — CID 1400090

IUPACN-[3-[4-[(2S)-butan-2-yl]anilino]quinoxalin-2-yl]-4-methoxybenzenesulfonamide
SMILESCC[C@H](C)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H26N4O3S/c1-4-17(2)18-9-11-19(12-10-18)26-24-25(28-23-8-6-5-7-22(23)27-24)29-33(30,31)21-15-13-20(32-3)14-16-21/h5-17H,4H2,1-3H3,(H,26,27)(H,28,29)/t17-/m0/s1
InChIKeyJPGPAIYTIOXUPS-KRWDZBQOSA-N
MW462.58 g/mol
LogP5.70
Rot. Bonds8

About N-[3-[4-[(2S)-butan-2-yl]anilino]quinoxalin-2-yl]-4-methoxybenzenesulfonamide

N-[3-[4-[(2S)-butan-2-yl]anilino]quinoxalin-2-yl]-4-methoxybenzenesulfonamide (PubChem CID 1400090) has the molecular formula C25H26N4O3S and a molecular weight of 462.58 g/mol. Its IUPAC name is N-[3-[4-[(2S)-butan-2-yl]anilino]quinoxalin-2-yl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[4-[(2S)-butan-2-yl]anilino]quinoxalin-2-yl]-4-methoxybenzenesulfonamide
PubChem CID1400090
Molecular FormulaC25H26N4O3S
Molecular Weight462.58 g/mol
Exact Mass462.17
IUPAC NameN-[3-[4-[(2S)-butan-2-yl]anilino]quinoxalin-2-yl]-4-methoxybenzenesulfonamide
SMILESCC[C@H](C)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H26N4O3S/c1-4-17(2)18-9-11-19(12-10-18)26-24-25(28-23-8-6-5-7-22(23)27-24)29-33(30,31)21-15-13-20(32-3)14-16-21/h5-17H,4H2,1-3H3,(H,26,27)(H,28,29)/t17-/m0/s1
InChIKeyJPGPAIYTIOXUPS-KRWDZBQOSA-N
XLogP5.70
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.58
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[4-[(2S)-butan-2-yl]anilino]quinoxalin-2-yl]-4-methoxybenzenesulfonamide with MolForge

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Related Compounds

N-[3-(4-butan-2-ylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 3841697
4-methoxy-N-[3-(4-methylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1398612
4-bromo-N-[3-(4-methoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 2837515
methyl 2-[4-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]propanoate
CID 141170275
N-[3-(3,4-dimethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1383356
N-[3-(2-ethylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1392214
N-[3-(4-ethoxyanilino)quinoxalin-2-yl]-4-fluorobenzenesulfonamide
CID 1398916
4-methoxy-N-[3-(2-methylbutoxy)quinoxalin-2-yl]benzenesulfonamide
CID 3274197
N-[3-(2-fluoroanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 2025854
3-[[3-[(4-methoxyphenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate
CID 2068807
N-(4-methoxyphenyl)-3-(4-methoxyphenyl)sulfonylquinoxalin-2-amine
CID 56677086
N-[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide
CID 1402865

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(2S)-butan-2-yl]anilino]quinoxalin-2-yl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[3-[4-[(2S)-butan-2-yl]anilino]quinoxalin-2-yl]-4-methoxybenzenesulfonamide (CID 1400090) is N-[3-[4-[(2S)-butan-2-yl]anilino]quinoxalin-2-yl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[3-[4-[(2S)-butan-2-yl]anilino]quinoxalin-2-yl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[3-[4-[(2S)-butan-2-yl]anilino]quinoxalin-2-yl]-4-methoxybenzenesulfonamide is CC[C@H](C)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[3-[4-[(2S)-butan-2-yl]anilino]quinoxalin-2-yl]-4-methoxybenzenesulfonamide?
The InChIKey is JPGPAIYTIOXUPS-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H26N4O3S/c1-4-17(2)18-9-11-19(12-10-18)26-24-25(28-23-8-6-5-7-22(23)27-24)29-33(30,31)21-15-13-20(32-3)14-16-21/h5-17H,4H2,1-3H3,(H,26,27)(H,28,29)/t17-/m0/s1.
What are the key properties of N-[3-[4-[(2S)-butan-2-yl]anilino]quinoxalin-2-yl]-4-methoxybenzenesulfonamide?
N-[3-[4-[(2S)-butan-2-yl]anilino]quinoxalin-2-yl]-4-methoxybenzenesulfonamide has a molecular weight of 462.58 g/mol, XLogP of 5.70, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(2S)-butan-2-yl]anilino]quinoxalin-2-yl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 1400090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).