N-(2-chloro-5-imidazo[1,2-a]pyridin-3-yl-3-pyridinyl)-4-fluorobenzenesulfonamide

C18H12ClFN4O2S — CID 46913311

IUPACN-(2-chloro-5-imidazo[1,2-a]pyridin-3-yl-3-pyridinyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2cnc3ccccn23)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C18H12ClFN4O2S/c19-18-15(23-27(25,26)14-6-4-13(20)5-7-14)9-12(10-22-18)16-11-21-17-3-1-2-8-24(16)17/h1-11,23H
InChIKeyZTMZOOBBTDSQCV-UHFFFAOYSA-N
MW402.84 g/mol
LogP3.99
Rot. Bonds4

About N-(2-chloro-5-imidazo[1,2-a]pyridin-3-yl-3-pyridinyl)-4-fluorobenzenesulfonamide

N-(2-chloro-5-imidazo[1,2-a]pyridin-3-yl-3-pyridinyl)-4-fluorobenzenesulfonamide (PubChem CID 46913311) has the molecular formula C18H12ClFN4O2S and a molecular weight of 402.84 g/mol. Its IUPAC name is N-(2-chloro-5-imidazo[1,2-a]pyridin-3-yl-3-pyridinyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-5-imidazo[1,2-a]pyridin-3-yl-3-pyridinyl)-4-fluorobenzenesulfonamide
PubChem CID46913311
Molecular FormulaC18H12ClFN4O2S
Molecular Weight402.84 g/mol
Exact Mass402.04
IUPAC NameN-(2-chloro-5-imidazo[1,2-a]pyridin-3-yl-3-pyridinyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2cnc3ccccn23)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C18H12ClFN4O2S/c19-18-15(23-27(25,26)14-6-4-13(20)5-7-14)9-12(10-22-18)16-11-21-17-3-1-2-8-24(16)17/h1-11,23H
InChIKeyZTMZOOBBTDSQCV-UHFFFAOYSA-N
XLogP3.99
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.84
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-imidazo[1,2-a]pyridin-3-yl-3-pyridinyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(2-chloro-5-imidazo[1,2-a]pyridin-3-yl-3-pyridinyl)-4-fluorobenzenesulfonamide (CID 46913311) is N-(2-chloro-5-imidazo[1,2-a]pyridin-3-yl-3-pyridinyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-chloro-5-imidazo[1,2-a]pyridin-3-yl-3-pyridinyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-chloro-5-imidazo[1,2-a]pyridin-3-yl-3-pyridinyl)-4-fluorobenzenesulfonamide is O=S(=O)(Nc1cc(-c2cnc3ccccn23)cnc1Cl)c1ccc(F)cc1.
What is the InChIKey of N-(2-chloro-5-imidazo[1,2-a]pyridin-3-yl-3-pyridinyl)-4-fluorobenzenesulfonamide?
The InChIKey is ZTMZOOBBTDSQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN4O2S/c19-18-15(23-27(25,26)14-6-4-13(20)5-7-14)9-12(10-22-18)16-11-21-17-3-1-2-8-24(16)17/h1-11,23H.
What are the key properties of N-(2-chloro-5-imidazo[1,2-a]pyridin-3-yl-3-pyridinyl)-4-fluorobenzenesulfonamide?
N-(2-chloro-5-imidazo[1,2-a]pyridin-3-yl-3-pyridinyl)-4-fluorobenzenesulfonamide has a molecular weight of 402.84 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-imidazo[1,2-a]pyridin-3-yl-3-pyridinyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 46913311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).