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

C25H23ClFN5O3S — CID 58229532

IUPACN-[2-chloro-5-[3-(3-methoxypiperidin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESCOC1CCCN(c2cnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccc(F)cc5)c4)cc3n2)C1
InChIInChI=1S/C25H23ClFN5O3S/c1-35-19-3-2-10-32(15-19)24-14-28-21-9-4-16(11-22(21)30-24)17-12-23(25(26)29-13-17)31-36(33,34)20-7-5-18(27)6-8-20/h4-9,11-14,19,31H,2-3,10,15H2,1H3
InChIKeyWHDINVVHVBQZQX-UHFFFAOYSA-N
MW528.01 g/mol
LogP4.90
Rot. Bonds6

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

N-[2-chloro-5-[3-(3-methoxypiperidin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide (PubChem CID 58229532) has the molecular formula C25H23ClFN5O3S and a molecular weight of 528.01 g/mol. Its IUPAC name is N-[2-chloro-5-[3-(3-methoxypiperidin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-[3-(3-methoxypiperidin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
PubChem CID58229532
Molecular FormulaC25H23ClFN5O3S
Molecular Weight528.01 g/mol
Exact Mass527.12
IUPAC NameN-[2-chloro-5-[3-(3-methoxypiperidin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESCOC1CCCN(c2cnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccc(F)cc5)c4)cc3n2)C1
InChIInChI=1S/C25H23ClFN5O3S/c1-35-19-3-2-10-32(15-19)24-14-28-21-9-4-16(11-22(21)30-24)17-12-23(25(26)29-13-17)31-36(33,34)20-7-5-18(27)6-8-20/h4-9,11-14,19,31H,2-3,10,15H2,1H3
InChIKeyWHDINVVHVBQZQX-UHFFFAOYSA-N
XLogP4.90
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.01
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[2-chloro-5-[3-(3-methoxypiperidin-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

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[3-(3-methoxypiperidin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-chloro-5-[3-(3-methoxypiperidin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide (CID 58229532) is N-[2-chloro-5-[3-(3-methoxypiperidin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-[3-(3-methoxypiperidin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-[3-(3-methoxypiperidin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide is COC1CCCN(c2cnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccc(F)cc5)c4)cc3n2)C1.
What is the InChIKey of N-[2-chloro-5-[3-(3-methoxypiperidin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide?
The InChIKey is WHDINVVHVBQZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN5O3S/c1-35-19-3-2-10-32(15-19)24-14-28-21-9-4-16(11-22(21)30-24)17-12-23(25(26)29-13-17)31-36(33,34)20-7-5-18(27)6-8-20/h4-9,11-14,19,31H,2-3,10,15H2,1H3.
What are the key properties of N-[2-chloro-5-[3-(3-methoxypiperidin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide?
N-[2-chloro-5-[3-(3-methoxypiperidin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide has a molecular weight of 528.01 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[3-(3-methoxypiperidin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 58229532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).