3-cyano-4-[2,4-dichloro-6-(2-methylpyrazol-3-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

C19H12Cl2N6O3S2 — CID 71717514

About 3-cyano-4-[2,4-dichloro-6-(2-methylpyrazol-3-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

3-cyano-4-[2,4-dichloro-6-(2-methylpyrazol-3-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (PubChem CID 71717514) has the molecular formula C19H12Cl2N6O3S2 and a molecular weight of 507.38 g/mol. Its IUPAC name is 3-cyano-4-[2,4-dichloro-6-(2-methylpyrazol-3-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: 3-cyano-4-[2,4-dichloro-6-(2-methylpyrazol-3-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
• PubChem CID: 71717514
• Molecular Formula: C19H12Cl2N6O3S2
• Molecular Weight: 507.38 g/mol
• Exact Mass: 505.98
• IUPAC Name: 3-cyano-4-[2,4-dichloro-6-(2-methylpyrazol-3-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
• SMILES: Cn1nccc1-c1cc(Cl)cc(Cl)c1Oc1ccc(S(=O)(=O)Nc2ncns2)cc1C#N
• InChI: InChI=1S/C19H12Cl2N6O3S2/c1-27-16(4-5-24-27)14-7-12(20)8-15(21)18(14)30-17-3-2-13(6-11(17)9-22)32(28,29)26-19-23-10-25-31-19/h2-8,10H,1H3,(H,23,25,26)
• InChIKey: GZBNDMZUQUYAHF-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 122.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.38
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-[2,4-dichloro-6-(2-methylpyrazol-3-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?

The IUPAC name of 3-cyano-4-[2,4-dichloro-6-(2-methylpyrazol-3-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (CID 71717514) is 3-cyano-4-[2,4-dichloro-6-(2-methylpyrazol-3-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.

What is the SMILES notation for 3-cyano-4-[2,4-dichloro-6-(2-methylpyrazol-3-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?

The canonical SMILES for 3-cyano-4-[2,4-dichloro-6-(2-methylpyrazol-3-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is Cn1nccc1-c1cc(Cl)cc(Cl)c1Oc1ccc(S(=O)(=O)Nc2ncns2)cc1C#N.

What is the InChIKey of 3-cyano-4-[2,4-dichloro-6-(2-methylpyrazol-3-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?

The InChIKey is GZBNDMZUQUYAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N6O3S2/c1-27-16(4-5-24-27)14-7-12(20)8-15(21)18(14)30-17-3-2-13(6-11(17)9-22)32(28,29)26-19-23-10-25-31-19/h2-8,10H,1H3,(H,23,25,26).

What are the key properties of 3-cyano-4-[2,4-dichloro-6-(2-methylpyrazol-3-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?

3-cyano-4-[2,4-dichloro-6-(2-methylpyrazol-3-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 507.38 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyano-4-[2,4-dichloro-6-(2-methylpyrazol-3-yl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 71717514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).