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

C15H8F2IN5O2S2 — CID 66693951

IUPAC2,4-difluoro-N-[5-(5-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cncc(-c2nn3c(I)cnc3s2)c1)c1ccc(F)cc1F
InChIInChI=1S/C15H8F2IN5O2S2/c16-9-1-2-12(11(17)4-9)27(24,25)22-10-3-8(5-19-6-10)14-21-23-13(18)7-20-15(23)26-14/h1-7,22H
InChIKeyWJISFXLDYOAWHV-UHFFFAOYSA-N
MW519.30 g/mol
LogP3.54
Rot. Bonds4

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

2,4-difluoro-N-[5-(5-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 66693951) has the molecular formula C15H8F2IN5O2S2 and a molecular weight of 519.30 g/mol. Its IUPAC name is 2,4-difluoro-N-[5-(5-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[5-(5-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID66693951
Molecular FormulaC15H8F2IN5O2S2
Molecular Weight519.30 g/mol
Exact Mass518.91
IUPAC Name2,4-difluoro-N-[5-(5-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cncc(-c2nn3c(I)cnc3s2)c1)c1ccc(F)cc1F
InChIInChI=1S/C15H8F2IN5O2S2/c16-9-1-2-12(11(17)4-9)27(24,25)22-10-3-8(5-19-6-10)14-21-23-13(18)7-20-15(23)26-14/h1-7,22H
InChIKeyWJISFXLDYOAWHV-UHFFFAOYSA-N
XLogP3.54
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.30
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[5-(5-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[5-(5-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-pyridinyl]benzenesulfonamide (CID 66693951) is 2,4-difluoro-N-[5-(5-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[5-(5-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[5-(5-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1cncc(-c2nn3c(I)cnc3s2)c1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[5-(5-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is WJISFXLDYOAWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F2IN5O2S2/c16-9-1-2-12(11(17)4-9)27(24,25)22-10-3-8(5-19-6-10)14-21-23-13(18)7-20-15(23)26-14/h1-7,22H.
What are the key properties of 2,4-difluoro-N-[5-(5-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-pyridinyl]benzenesulfonamide?
2,4-difluoro-N-[5-(5-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 519.30 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[5-(5-iodoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 66693951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).