N-(2-chloro-5-imidazo[1,2-b]pyridazin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide

C17H11ClFN5O2S — CID 53387410

IUPACN-(2-chloro-5-imidazo[1,2-b]pyridazin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc3nccn3n2)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C17H11ClFN5O2S/c18-17-15(23-27(25,26)13-3-1-12(19)2-4-13)9-11(10-21-17)14-5-6-16-20-7-8-24(16)22-14/h1-10,23H
InChIKeyWEIYGNUYMJRNTA-UHFFFAOYSA-N
MW403.83 g/mol
LogP3.38
Rot. Bonds4

About N-(2-chloro-5-imidazo[1,2-b]pyridazin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide

N-(2-chloro-5-imidazo[1,2-b]pyridazin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide (PubChem CID 53387410) has the molecular formula C17H11ClFN5O2S and a molecular weight of 403.83 g/mol. Its IUPAC name is N-(2-chloro-5-imidazo[1,2-b]pyridazin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-5-imidazo[1,2-b]pyridazin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide
PubChem CID53387410
Molecular FormulaC17H11ClFN5O2S
Molecular Weight403.83 g/mol
Exact Mass403.03
IUPAC NameN-(2-chloro-5-imidazo[1,2-b]pyridazin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc3nccn3n2)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C17H11ClFN5O2S/c18-17-15(23-27(25,26)13-3-1-12(19)2-4-13)9-11(10-21-17)14-5-6-16-20-7-8-24(16)22-14/h1-10,23H
InChIKeyWEIYGNUYMJRNTA-UHFFFAOYSA-N
XLogP3.38
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.83
LogP ≤ 53.38
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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Related Compounds

CID 71506845
CID 71506845
CID 5288595
CID 5288595
CID 6539038
CID 6539038
CID 71537261
CID 71537261
CID 132166959
CID 132166959
CID 23652981
CID 23652981
CID 44124863
CID 44124863
CID 52936958
CID 52936958
CID 52937066
CID 52937066
CID 57401173
CID 57401173
CID 135156454
CID 135156454
CID 141461656
CID 141461656

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-imidazo[1,2-b]pyridazin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(2-chloro-5-imidazo[1,2-b]pyridazin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide (CID 53387410) is N-(2-chloro-5-imidazo[1,2-b]pyridazin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-chloro-5-imidazo[1,2-b]pyridazin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-chloro-5-imidazo[1,2-b]pyridazin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide is O=S(=O)(Nc1cc(-c2ccc3nccn3n2)cnc1Cl)c1ccc(F)cc1.
What is the InChIKey of N-(2-chloro-5-imidazo[1,2-b]pyridazin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide?
The InChIKey is WEIYGNUYMJRNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN5O2S/c18-17-15(23-27(25,26)13-3-1-12(19)2-4-13)9-11(10-21-17)14-5-6-16-20-7-8-24(16)22-14/h1-10,23H.
What are the key properties of N-(2-chloro-5-imidazo[1,2-b]pyridazin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide?
N-(2-chloro-5-imidazo[1,2-b]pyridazin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide has a molecular weight of 403.83 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-imidazo[1,2-b]pyridazin-6-yl-3-pyridinyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 53387410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).