2,5-difluoro-4-(4-fluoro-2-pyridazin-4-ylphenoxy)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

C18H10F3N5O3S2 — CID 71716222

IUPAC2,5-difluoro-4-(4-fluoro-2-pyridazin-4-ylphenoxy)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccc(F)cc2-c2ccnnc2)cc1F
InChIInChI=1S/C18H10F3N5O3S2/c19-11-1-2-15(12(5-11)10-3-4-23-24-8-10)29-16-6-14(21)17(7-13(16)20)31(27,28)26-18-22-9-25-30-18/h1-9H,(H,22,25,26)
InChIKeyDSLCYWSAONNQPX-UHFFFAOYSA-N
MW465.44 g/mol
LogP4.01
Rot. Bonds6

About 2,5-difluoro-4-(4-fluoro-2-pyridazin-4-ylphenoxy)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

2,5-difluoro-4-(4-fluoro-2-pyridazin-4-ylphenoxy)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (PubChem CID 71716222) has the molecular formula C18H10F3N5O3S2 and a molecular weight of 465.44 g/mol. Its IUPAC name is 2,5-difluoro-4-(4-fluoro-2-pyridazin-4-ylphenoxy)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-4-(4-fluoro-2-pyridazin-4-ylphenoxy)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
PubChem CID71716222
Molecular FormulaC18H10F3N5O3S2
Molecular Weight465.44 g/mol
Exact Mass465.02
IUPAC Name2,5-difluoro-4-(4-fluoro-2-pyridazin-4-ylphenoxy)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccc(F)cc2-c2ccnnc2)cc1F
InChIInChI=1S/C18H10F3N5O3S2/c19-11-1-2-15(12(5-11)10-3-4-23-24-8-10)29-16-6-14(21)17(7-13(16)20)31(27,28)26-18-22-9-25-30-18/h1-9H,(H,22,25,26)
InChIKeyDSLCYWSAONNQPX-UHFFFAOYSA-N
XLogP4.01
TPSA106.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2,5-difluoro-4-[2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)phenoxy]-N-1,2,4-thiadiazol-5-ylbenzenesulfonamide
CID 46840947
2,5-difluoro-4-[2-(1H-pyrazol-4-yl)-4-(trifluoromethyl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 46840948
3-cyano-4-[2-pyridazin-4-yl-4-(trifluoromethyl)phenoxy]-N-1,2,4-thiadiazol-5-ylbenzenesulfonamide
CID 46841216
2,5-difluoro-4-[2-pyridazin-4-yl-4-(trifluoromethyl)phenoxy]-N-1,2,4-thiadiazol-5-ylbenzenesulfonamide
CID 46841351
3-cyano-4-[2-pyridazin-4-yl-4-(trifluoromethoxy)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 46841645
3-cyano-4-[5-fluoro-2-pyridazin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 46841938
3-cyano-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 59436531
3-fluoro-4-[2-pyridazin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71716229
5-chloro-4-(5-cyano-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71716247
3-fluoro-4-[2-(1H-pyrazol-5-yl)-4-(trifluoromethoxy)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71716263
4-(4-chloro-2-pyridazin-4-ylphenoxy)-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71716275
3-cyano-4-[2-pyridazin-3-yl-4-(trifluoromethyl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71716821

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-(4-fluoro-2-pyridazin-4-ylphenoxy)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 2,5-difluoro-4-(4-fluoro-2-pyridazin-4-ylphenoxy)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (CID 71716222) is 2,5-difluoro-4-(4-fluoro-2-pyridazin-4-ylphenoxy)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-4-(4-fluoro-2-pyridazin-4-ylphenoxy)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-4-(4-fluoro-2-pyridazin-4-ylphenoxy)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccc(F)cc2-c2ccnnc2)cc1F.
What is the InChIKey of 2,5-difluoro-4-(4-fluoro-2-pyridazin-4-ylphenoxy)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is DSLCYWSAONNQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3N5O3S2/c19-11-1-2-15(12(5-11)10-3-4-23-24-8-10)29-16-6-14(21)17(7-13(16)20)31(27,28)26-18-22-9-25-30-18/h1-9H,(H,22,25,26).
What are the key properties of 2,5-difluoro-4-(4-fluoro-2-pyridazin-4-ylphenoxy)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
2,5-difluoro-4-(4-fluoro-2-pyridazin-4-ylphenoxy)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 465.44 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-(4-fluoro-2-pyridazin-4-ylphenoxy)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 71716222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).