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

C19H10ClFN6O3S2 — CID 71716247

IUPAC5-chloro-4-(5-cyano-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESN#Cc1ccc(-c2ccnnc2)c(Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2Cl)c1
InChIInChI=1S/C19H10ClFN6O3S2/c20-14-6-18(32(28,29)27-19-23-10-26-31-19)15(21)7-17(14)30-16-5-11(8-22)1-2-13(16)12-3-4-24-25-9-12/h1-7,9-10H,(H,23,26,27)
InChIKeyHTKQMDKIGCUUCM-UHFFFAOYSA-N
MW488.91 g/mol
LogP4.25
Rot. Bonds6

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

5-chloro-4-(5-cyano-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (PubChem CID 71716247) has the molecular formula C19H10ClFN6O3S2 and a molecular weight of 488.91 g/mol. Its IUPAC name is 5-chloro-4-(5-cyano-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-4-(5-cyano-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
PubChem CID71716247
Molecular FormulaC19H10ClFN6O3S2
Molecular Weight488.91 g/mol
Exact Mass487.99
IUPAC Name5-chloro-4-(5-cyano-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESN#Cc1ccc(-c2ccnnc2)c(Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2Cl)c1
InChIInChI=1S/C19H10ClFN6O3S2/c20-14-6-18(32(28,29)27-19-23-10-26-31-19)15(21)7-17(14)30-16-5-11(8-22)1-2-13(16)12-3-4-24-25-9-12/h1-7,9-10H,(H,23,26,27)
InChIKeyHTKQMDKIGCUUCM-UHFFFAOYSA-N
XLogP4.25
TPSA130.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.91
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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
2,5-difluoro-4-(4-fluoro-2-pyridazin-4-ylphenoxy)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71716222
3-fluoro-4-[2-pyridazin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71716229
3-chloro-4-[4-fluoro-2-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71716250
4-(4-chloro-2-pyridazin-4-ylphenoxy)-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71716275
5-chloro-2-fluoro-4-[4-fluoro-2-(1H-pyrazol-5-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71716294
5-chloro-4-[2-(5-cyanopyridin-3-yl)-4-(trifluoromethyl)phenoxy]-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71716815
4-[4-chloro-2-(5-methylpyridazin-4-yl)phenoxy]-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71716833
3-cyano-4-(4,5-dichloro-2-pyridazin-4-ylphenoxy)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71716872

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(5-cyano-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 5-chloro-4-(5-cyano-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (CID 71716247) is 5-chloro-4-(5-cyano-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-4-(5-cyano-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 5-chloro-4-(5-cyano-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is N#Cc1ccc(-c2ccnnc2)c(Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2Cl)c1.
What is the InChIKey of 5-chloro-4-(5-cyano-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is HTKQMDKIGCUUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClFN6O3S2/c20-14-6-18(32(28,29)27-19-23-10-26-31-19)15(21)7-17(14)30-16-5-11(8-22)1-2-13(16)12-3-4-24-25-9-12/h1-7,9-10H,(H,23,26,27).
What are the key properties of 5-chloro-4-(5-cyano-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
5-chloro-4-(5-cyano-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 488.91 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(5-cyano-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 71716247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).