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

C26H26ClFN6O3S — CID 156621456

IUPACN-[2-chloro-5-[3-[4-(2-methoxyethyl)piperazin-1-yl]quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESCOCCN1CCN(c2cnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccc(F)cc5)c4)cc3n2)CC1
InChIInChI=1S/C26H26ClFN6O3S/c1-37-13-12-33-8-10-34(11-9-33)25-17-29-22-7-2-18(14-23(22)31-25)19-15-24(26(27)30-16-19)32-38(35,36)21-5-3-20(28)4-6-21/h2-7,14-17,32H,8-13H2,1H3
InChIKeyCSXPHCNRLYQFIH-UHFFFAOYSA-N
MW557.05 g/mol
LogP4.05
Rot. Bonds8

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

N-[2-chloro-5-[3-[4-(2-methoxyethyl)piperazin-1-yl]quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide (PubChem CID 156621456) has the molecular formula C26H26ClFN6O3S and a molecular weight of 557.05 g/mol. Its IUPAC name is N-[2-chloro-5-[3-[4-(2-methoxyethyl)piperazin-1-yl]quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-[3-[4-(2-methoxyethyl)piperazin-1-yl]quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
PubChem CID156621456
Molecular FormulaC26H26ClFN6O3S
Molecular Weight557.05 g/mol
Exact Mass556.15
IUPAC NameN-[2-chloro-5-[3-[4-(2-methoxyethyl)piperazin-1-yl]quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESCOCCN1CCN(c2cnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccc(F)cc5)c4)cc3n2)CC1
InChIInChI=1S/C26H26ClFN6O3S/c1-37-13-12-33-8-10-34(11-9-33)25-17-29-22-7-2-18(14-23(22)31-25)19-15-24(26(27)30-16-19)32-38(35,36)21-5-3-20(28)4-6-21/h2-7,14-17,32H,8-13H2,1H3
InChIKeyCSXPHCNRLYQFIH-UHFFFAOYSA-N
XLogP4.05
TPSA100.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.05
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[2-chloro-5-[3-[4-(2-methoxyethyl)piperazin-1-yl]quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide 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

N-{2-Chloro-5-[4-(Morpholin-4-Yl)quinolin-6-Yl]pyridin-3-Yl}-4-Fluorobenzenesulfonamide
CID 44608915
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-[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-[4-(2-methoxyethyl)piperazin-1-yl]quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-chloro-5-[3-[4-(2-methoxyethyl)piperazin-1-yl]quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide (CID 156621456) is N-[2-chloro-5-[3-[4-(2-methoxyethyl)piperazin-1-yl]quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-[3-[4-(2-methoxyethyl)piperazin-1-yl]quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-[3-[4-(2-methoxyethyl)piperazin-1-yl]quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide is COCCN1CCN(c2cnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccc(F)cc5)c4)cc3n2)CC1.
What is the InChIKey of N-[2-chloro-5-[3-[4-(2-methoxyethyl)piperazin-1-yl]quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide?
The InChIKey is CSXPHCNRLYQFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClFN6O3S/c1-37-13-12-33-8-10-34(11-9-33)25-17-29-22-7-2-18(14-23(22)31-25)19-15-24(26(27)30-16-19)32-38(35,36)21-5-3-20(28)4-6-21/h2-7,14-17,32H,8-13H2,1H3.
What are the key properties of N-[2-chloro-5-[3-[4-(2-methoxyethyl)piperazin-1-yl]quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide?
N-[2-chloro-5-[3-[4-(2-methoxyethyl)piperazin-1-yl]quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide has a molecular weight of 557.05 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[3-[4-(2-methoxyethyl)piperazin-1-yl]quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 156621456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).