2,4-difluoro-N-[5-(5-formylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide

C17H11F2N5O4S2 — CID 53476295

IUPAC2,4-difluoro-N-[5-(5-formylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2nn3c(C=O)cnc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C17H11F2N5O4S2/c1-28-15-13(23-30(26,27)14-3-2-10(18)5-12(14)19)4-9(6-20-15)16-22-24-11(8-25)7-21-17(24)29-16/h2-8,23H,1H3
InChIKeyUXXIIVRUCFWWEY-UHFFFAOYSA-N
MW451.44 g/mol
LogP2.75
Rot. Bonds6

About 2,4-difluoro-N-[5-(5-formylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide

2,4-difluoro-N-[5-(5-formylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide (PubChem CID 53476295) has the molecular formula C17H11F2N5O4S2 and a molecular weight of 451.44 g/mol. Its IUPAC name is 2,4-difluoro-N-[5-(5-formylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[5-(5-formylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
PubChem CID53476295
Molecular FormulaC17H11F2N5O4S2
Molecular Weight451.44 g/mol
Exact Mass451.02
IUPAC Name2,4-difluoro-N-[5-(5-formylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2nn3c(C=O)cnc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C17H11F2N5O4S2/c1-28-15-13(23-30(26,27)14-3-2-10(18)5-12(14)19)4-9(6-20-15)16-22-24-11(8-25)7-21-17(24)29-16/h2-8,23H,1H3
InChIKeyUXXIIVRUCFWWEY-UHFFFAOYSA-N
XLogP2.75
TPSA115.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2,4-difluoro-N-(2-methoxy-5-pyrazolo[1,5-a]pyridin-5-yl-3-pyridinyl)benzenesulfonamide
CID 86729955
2,4-difluoro-N-[5-(5-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-pyridinyl]benzenesulfonamide
CID 66693951
2,4-difluoro-N-[2-methoxy-5-(3-prop-1-ynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 74763475
2,4-difluoro-N-[5-(3-iodoimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 86718346
2,4-difluoro-N-[2-methoxy-5-[7-(3-methylbut-1-ynyl)imidazo[1,2-b][1,2,4]triazin-2-yl]-3-pyridinyl]benzenesulfonamide
CID 90152128
N-[5-[4-amino-3-(butylamino)phenyl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 123172493
N-[5-[4-amino-3-(3-iodopropylamino)phenyl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 89304055
2,4-difluoro-N-[2-methoxy-5-[5-(2-methyl-1-oxo-3H-isoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide
CID 73295615
2,4-difluoro-N-[2-methoxy-5-[4-oxo-3-(2-oxopropyl)pyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide
CID 157394533
2,4-difluoro-N-[5-(4-fluoro-1-oxo-2H-isoquinolin-7-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 169171469
2,4-difluoro-N-[2-methoxy-5-[5-(1-oxo-2,3-dihydroisoindol-5-yl)thiophen-2-yl]-3-pyridinyl]benzenesulfonamide
CID 73295616
2,4-difluoro-N-[2-methoxy-5-(2-methyl-3-quinoxalin-6-ylindazol-5-yl)-3-pyridinyl]benzenesulfonamide
CID 71531982

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[5-(5-formylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[5-(5-formylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide (CID 53476295) is 2,4-difluoro-N-[5-(5-formylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[5-(5-formylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[5-(5-formylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide is COc1ncc(-c2nn3c(C=O)cnc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[5-(5-formylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide?
The InChIKey is UXXIIVRUCFWWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N5O4S2/c1-28-15-13(23-30(26,27)14-3-2-10(18)5-12(14)19)4-9(6-20-15)16-22-24-11(8-25)7-21-17(24)29-16/h2-8,23H,1H3.
What are the key properties of 2,4-difluoro-N-[5-(5-formylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide?
2,4-difluoro-N-[5-(5-formylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide has a molecular weight of 451.44 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[5-(5-formylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 53476295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).