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

C19H11ClN6O3S2 — CID 71716275

IUPAC4-(4-chloro-2-pyridazin-4-ylphenoxy)-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(Cl)cc1-c1ccnnc1
InChIInChI=1S/C19H11ClN6O3S2/c20-14-1-3-18(16(8-14)12-5-6-23-24-10-12)29-17-4-2-15(7-13(17)9-21)31(27,28)26-19-22-11-25-30-19/h1-8,10-11H,(H,22,25,26)
InChIKeyKPKUFQPBLZBJTB-UHFFFAOYSA-N
MW470.92 g/mol
LogP4.11
Rot. Bonds6

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

4-(4-chloro-2-pyridazin-4-ylphenoxy)-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (PubChem CID 71716275) has the molecular formula C19H11ClN6O3S2 and a molecular weight of 470.92 g/mol. Its IUPAC name is 4-(4-chloro-2-pyridazin-4-ylphenoxy)-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-chloro-2-pyridazin-4-ylphenoxy)-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
PubChem CID71716275
Molecular FormulaC19H11ClN6O3S2
Molecular Weight470.92 g/mol
Exact Mass470.00
IUPAC Name4-(4-chloro-2-pyridazin-4-ylphenoxy)-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(Cl)cc1-c1ccnnc1
InChIInChI=1S/C19H11ClN6O3S2/c20-14-1-3-18(16(8-14)12-5-6-23-24-10-12)29-17-4-2-15(7-13(17)9-21)31(27,28)26-19-22-11-25-30-19/h1-8,10-11H,(H,22,25,26)
InChIKeyKPKUFQPBLZBJTB-UHFFFAOYSA-N
XLogP4.11
TPSA130.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.92
LogP ≤ 54.11
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-(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
4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-3-cyano-N-pyrimidin-4-ylbenzenesulfonamide
CID 71716191

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-pyridazin-4-ylphenoxy)-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-(4-chloro-2-pyridazin-4-ylphenoxy)-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (CID 71716275) is 4-(4-chloro-2-pyridazin-4-ylphenoxy)-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-(4-chloro-2-pyridazin-4-ylphenoxy)-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-(4-chloro-2-pyridazin-4-ylphenoxy)-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(Cl)cc1-c1ccnnc1.
What is the InChIKey of 4-(4-chloro-2-pyridazin-4-ylphenoxy)-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is KPKUFQPBLZBJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN6O3S2/c20-14-1-3-18(16(8-14)12-5-6-23-24-10-12)29-17-4-2-15(7-13(17)9-21)31(27,28)26-19-22-11-25-30-19/h1-8,10-11H,(H,22,25,26).
What are the key properties of 4-(4-chloro-2-pyridazin-4-ylphenoxy)-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
4-(4-chloro-2-pyridazin-4-ylphenoxy)-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 470.92 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-pyridazin-4-ylphenoxy)-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 71716275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).