4-(4-chloro-5-fluoro-2-pyridazin-4-ylphenoxy)-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

C19H10ClFN6O3S2 — CID 71717500

IUPAC4-(4-chloro-5-fluoro-2-pyridazin-4-ylphenoxy)-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1cc(F)c(Cl)cc1-c1ccnnc1
InChIInChI=1S/C19H10ClFN6O3S2/c20-15-6-14(11-3-4-24-25-9-11)18(7-16(15)21)30-17-2-1-13(5-12(17)8-22)32(28,29)27-19-23-10-26-31-19/h1-7,9-10H,(H,23,26,27)
InChIKeyIHEISOQZZQFWMZ-UHFFFAOYSA-N
MW488.91 g/mol
LogP4.25
Rot. Bonds6

About 4-(4-chloro-5-fluoro-2-pyridazin-4-ylphenoxy)-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

4-(4-chloro-5-fluoro-2-pyridazin-4-ylphenoxy)-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (PubChem CID 71717500) has the molecular formula C19H10ClFN6O3S2 and a molecular weight of 488.91 g/mol. Its IUPAC name is 4-(4-chloro-5-fluoro-2-pyridazin-4-ylphenoxy)-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-chloro-5-fluoro-2-pyridazin-4-ylphenoxy)-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
PubChem CID71717500
Molecular FormulaC19H10ClFN6O3S2
Molecular Weight488.91 g/mol
Exact Mass487.99
IUPAC Name4-(4-chloro-5-fluoro-2-pyridazin-4-ylphenoxy)-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1cc(F)c(Cl)cc1-c1ccnnc1
InChIInChI=1S/C19H10ClFN6O3S2/c20-15-6-14(11-3-4-24-25-9-11)18(7-16(15)21)30-17-2-1-13(5-12(17)8-22)32(28,29)27-19-23-10-26-31-19/h1-7,9-10H,(H,23,26,27)
InChIKeyIHEISOQZZQFWMZ-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

4-[4-chloro-5-fluoro-2-(1H-pyrazol-4-yl)phenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71716910
4-[2-(2-aminopyridin-4-yl)-4-chlorophenoxy]-2,5-difluoro-N-1,2,4-thiadiazol-5-ylbenzenesulfonamide
CID 46840818
4-(4-chloro-2-(1H-pyrazol-4-yl)phenoxy)-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 46840949
4-[2-(5-amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-3-cyano-N-1,2,4-thiadiazol-5-ylbenzenesulfonamide
CID 46840950
3-cyano-4-[2-pyridazin-4-yl-4-(trifluoromethyl)phenoxy]-N-1,2,4-thiadiazol-5-ylbenzenesulfonamide
CID 46841216
4-[4-chloro-5-fluoro-2-(1H-pyrazol-4-yl)phenoxy]-3-cyano-N-1,2,4-thiadiazol-5-ylbenzenesulfonamide
CID 46841218
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
4-{4-Chloro-2-[2-(dimethylamino)pyridin-4-yl]phenoxy}-3-cyano-N-1,2,4-thiadiazol-5-ylbenzenesulfonamide
CID 46841786
3-cyano-4-[5-fluoro-2-pyridazin-4-yl-4-(trifluoromethyl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 46841938
4-[4-chloro-2-(2-cyclobutyloxy-4-pyridinyl)phenoxy]-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 57494826
4-[4-(4-chlorophenyl)-1-methylpyrazol-3-yl]oxy-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71716180

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-5-fluoro-2-pyridazin-4-ylphenoxy)-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-(4-chloro-5-fluoro-2-pyridazin-4-ylphenoxy)-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (CID 71717500) is 4-(4-chloro-5-fluoro-2-pyridazin-4-ylphenoxy)-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-(4-chloro-5-fluoro-2-pyridazin-4-ylphenoxy)-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-(4-chloro-5-fluoro-2-pyridazin-4-ylphenoxy)-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1cc(F)c(Cl)cc1-c1ccnnc1.
What is the InChIKey of 4-(4-chloro-5-fluoro-2-pyridazin-4-ylphenoxy)-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is IHEISOQZZQFWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClFN6O3S2/c20-15-6-14(11-3-4-24-25-9-11)18(7-16(15)21)30-17-2-1-13(5-12(17)8-22)32(28,29)27-19-23-10-26-31-19/h1-7,9-10H,(H,23,26,27).
What are the key properties of 4-(4-chloro-5-fluoro-2-pyridazin-4-ylphenoxy)-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
4-(4-chloro-5-fluoro-2-pyridazin-4-ylphenoxy)-3-cyano-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 4-(4-chloro-5-fluoro-2-pyridazin-4-ylphenoxy)-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 71717500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).