N-[2-chloro-5-(3-pyridin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide

C24H15ClFN5O2S — CID 53363611

IUPACN-[2-chloro-5-(3-pyridin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc3ncc(-c4ccncc4)nc3c2)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C24H15ClFN5O2S/c25-24-22(31-34(32,33)19-4-2-18(26)3-5-19)12-17(13-29-24)16-1-6-20-21(11-16)30-23(14-28-20)15-7-9-27-10-8-15/h1-14,31H
InChIKeyURZNQWWEAQTUIM-UHFFFAOYSA-N
MW491.94 g/mol
LogP5.35
Rot. Bonds5

About N-[2-chloro-5-(3-pyridin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide

N-[2-chloro-5-(3-pyridin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide (PubChem CID 53363611) has the molecular formula C24H15ClFN5O2S and a molecular weight of 491.94 g/mol. Its IUPAC name is N-[2-chloro-5-(3-pyridin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(3-pyridin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
PubChem CID53363611
Molecular FormulaC24H15ClFN5O2S
Molecular Weight491.94 g/mol
Exact Mass491.06
IUPAC NameN-[2-chloro-5-(3-pyridin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc3ncc(-c4ccncc4)nc3c2)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C24H15ClFN5O2S/c25-24-22(31-34(32,33)19-4-2-18(26)3-5-19)12-17(13-29-24)16-1-6-20-21(11-16)30-23(14-28-20)15-7-9-27-10-8-15/h1-14,31H
InChIKeyURZNQWWEAQTUIM-UHFFFAOYSA-N
XLogP5.35
TPSA97.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.94
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(3-pyridin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-chloro-5-(3-pyridin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide (CID 53363611) is N-[2-chloro-5-(3-pyridin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(3-pyridin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-(3-pyridin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide is O=S(=O)(Nc1cc(-c2ccc3ncc(-c4ccncc4)nc3c2)cnc1Cl)c1ccc(F)cc1.
What is the InChIKey of N-[2-chloro-5-(3-pyridin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
The InChIKey is URZNQWWEAQTUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClFN5O2S/c25-24-22(31-34(32,33)19-4-2-18(26)3-5-19)12-17(13-29-24)16-1-6-20-21(11-16)30-23(14-28-20)15-7-9-27-10-8-15/h1-14,31H.
What are the key properties of N-[2-chloro-5-(3-pyridin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
N-[2-chloro-5-(3-pyridin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide has a molecular weight of 491.94 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(3-pyridin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 53363611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).