N-[2-chloro-5-[3-(2-piperidin-1-ylethylamino)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide

C26H26ClFN6O2S — CID 44610482

IUPACN-[2-chloro-5-[3-(2-piperidin-1-ylethylamino)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc3ncc(NCCN4CCCCC4)nc3c2)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C26H26ClFN6O2S/c27-26-24(33-37(35,36)21-7-5-20(28)6-8-21)15-19(16-31-26)18-4-9-22-23(14-18)32-25(17-30-22)29-10-13-34-11-2-1-3-12-34/h4-9,14-17,33H,1-3,10-13H2,(H,29,32)
InChIKeyGIFGUUZRMKEHAB-UHFFFAOYSA-N
MW541.05 g/mol
LogP5.18
Rot. Bonds8

About N-[2-chloro-5-[3-(2-piperidin-1-ylethylamino)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide

N-[2-chloro-5-[3-(2-piperidin-1-ylethylamino)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide (PubChem CID 44610482) has the molecular formula C26H26ClFN6O2S and a molecular weight of 541.05 g/mol. Its IUPAC name is N-[2-chloro-5-[3-(2-piperidin-1-ylethylamino)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-[3-(2-piperidin-1-ylethylamino)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
PubChem CID44610482
Molecular FormulaC26H26ClFN6O2S
Molecular Weight541.05 g/mol
Exact Mass540.15
IUPAC NameN-[2-chloro-5-[3-(2-piperidin-1-ylethylamino)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc3ncc(NCCN4CCCCC4)nc3c2)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C26H26ClFN6O2S/c27-26-24(33-37(35,36)21-7-5-20(28)6-8-21)15-19(16-31-26)18-4-9-22-23(14-18)32-25(17-30-22)29-10-13-34-11-2-1-3-12-34/h4-9,14-17,33H,1-3,10-13H2,(H,29,32)
InChIKeyGIFGUUZRMKEHAB-UHFFFAOYSA-N
XLogP5.18
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.05
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[2-chloro-5-[3-(2-piperidin-1-ylethylamino)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-chloro-5-[3-(cyclohexylmethylamino)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44608114
N-(2-Chloro-5-(3-(piperazin-1-yl)quinoxalin-6-yl)pyridin-3-yl)-4-fluorobenzenesulfonamide
CID 44608429
N-[2-chloro-5-[3-(2-methoxyethylamino)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44608432
N-[2-chloro-5-(3-morpholin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44609387
N-[2-chloro-5-[3-(4-propan-2-ylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44609388
N-[5-[4-(4-benzylpiperazin-1-yl)quinolin-6-yl]-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44609547
N-[2-chloro-5-[3-[2-methoxyethyl(methyl)amino]quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44610162
N-[2-chloro-5-[3-(4,4-difluoropiperidin-1-yl)quinoxalin-6-yl]pyridin-3-yl]-4-fluorobenzenesulfonamide
CID 44610163
N-[2-chloro-5-(3-piperidin-1-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44610316
N-[5-[3-(4-acetylpiperazin-1-yl)quinoxalin-6-yl]-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44610317
N-[2-chloro-5-[3-(2-phenylethylamino)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44610483
N-[5-[3-(3-azabicyclo[3.2.2]nonan-3-yl)quinoxalin-6-yl]-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44610484

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[3-(2-piperidin-1-ylethylamino)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-chloro-5-[3-(2-piperidin-1-ylethylamino)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide (CID 44610482) is N-[2-chloro-5-[3-(2-piperidin-1-ylethylamino)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-[3-(2-piperidin-1-ylethylamino)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-[3-(2-piperidin-1-ylethylamino)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide is O=S(=O)(Nc1cc(-c2ccc3ncc(NCCN4CCCCC4)nc3c2)cnc1Cl)c1ccc(F)cc1.
What is the InChIKey of N-[2-chloro-5-[3-(2-piperidin-1-ylethylamino)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide?
The InChIKey is GIFGUUZRMKEHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClFN6O2S/c27-26-24(33-37(35,36)21-7-5-20(28)6-8-21)15-19(16-31-26)18-4-9-22-23(14-18)32-25(17-30-22)29-10-13-34-11-2-1-3-12-34/h4-9,14-17,33H,1-3,10-13H2,(H,29,32).
What are the key properties of N-[2-chloro-5-[3-(2-piperidin-1-ylethylamino)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide?
N-[2-chloro-5-[3-(2-piperidin-1-ylethylamino)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide has a molecular weight of 541.05 g/mol, XLogP of 5.18, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[3-(2-piperidin-1-ylethylamino)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 44610482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).