4-[4-chloro-2-(5-methylpyridazin-4-yl)phenoxy]-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

C20H13ClN6O3S2 — CID 71716833

IUPAC4-[4-chloro-2-(5-methylpyridazin-4-yl)phenoxy]-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESCc1cnncc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2ncns2)cc1C#N
InChIInChI=1S/C20H13ClN6O3S2/c1-12-9-24-25-10-17(12)16-7-14(21)2-4-19(16)30-18-5-3-15(6-13(18)8-22)32(28,29)27-20-23-11-26-31-20/h2-7,9-11H,1H3,(H,23,26,27)
InChIKeyNOFHQASGIGMHIZ-UHFFFAOYSA-N
MW484.95 g/mol
LogP4.42
Rot. Bonds6

About 4-[4-chloro-2-(5-methylpyridazin-4-yl)phenoxy]-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

4-[4-chloro-2-(5-methylpyridazin-4-yl)phenoxy]-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (PubChem CID 71716833) has the molecular formula C20H13ClN6O3S2 and a molecular weight of 484.95 g/mol. Its IUPAC name is 4-[4-chloro-2-(5-methylpyridazin-4-yl)phenoxy]-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[4-chloro-2-(5-methylpyridazin-4-yl)phenoxy]-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
PubChem CID71716833
Molecular FormulaC20H13ClN6O3S2
Molecular Weight484.95 g/mol
Exact Mass484.02
IUPAC Name4-[4-chloro-2-(5-methylpyridazin-4-yl)phenoxy]-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESCc1cnncc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2ncns2)cc1C#N
InChIInChI=1S/C20H13ClN6O3S2/c1-12-9-24-25-10-17(12)16-7-14(21)2-4-19(16)30-18-5-3-15(6-13(18)8-22)32(28,29)27-20-23-11-26-31-20/h2-7,9-11H,1H3,(H,23,26,27)
InChIKeyNOFHQASGIGMHIZ-UHFFFAOYSA-N
XLogP4.42
TPSA130.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.95
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[4-chloro-2-(5-methylpyridazin-4-yl)phenoxy]-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-2-(5-methylpyridazin-4-yl)phenoxy]-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-[4-chloro-2-(5-methylpyridazin-4-yl)phenoxy]-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (CID 71716833) is 4-[4-chloro-2-(5-methylpyridazin-4-yl)phenoxy]-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-[4-chloro-2-(5-methylpyridazin-4-yl)phenoxy]-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-[4-chloro-2-(5-methylpyridazin-4-yl)phenoxy]-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is Cc1cnncc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2ncns2)cc1C#N.
What is the InChIKey of 4-[4-chloro-2-(5-methylpyridazin-4-yl)phenoxy]-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is NOFHQASGIGMHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN6O3S2/c1-12-9-24-25-10-17(12)16-7-14(21)2-4-19(16)30-18-5-3-15(6-13(18)8-22)32(28,29)27-20-23-11-26-31-20/h2-7,9-11H,1H3,(H,23,26,27).
What are the key properties of 4-[4-chloro-2-(5-methylpyridazin-4-yl)phenoxy]-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
4-[4-chloro-2-(5-methylpyridazin-4-yl)phenoxy]-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 484.95 g/mol, XLogP of 4.42, 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-(5-methylpyridazin-4-yl)phenoxy]-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 71716833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).