3-cyano-4-[(6-phenyl-4-pyridin-4-yl-3-pyridinyl)oxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C26H17N5O3S2 — CID 90099750

About 3-cyano-4-[(6-phenyl-4-pyridin-4-yl-3-pyridinyl)oxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide

3-cyano-4-[(6-phenyl-4-pyridin-4-yl-3-pyridinyl)oxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 90099750) has the molecular formula C26H17N5O3S2 and a molecular weight of 511.59 g/mol. Its IUPAC name is 3-cyano-4-[(6-phenyl-4-pyridin-4-yl-3-pyridinyl)oxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: 3-cyano-4-[(6-phenyl-4-pyridin-4-yl-3-pyridinyl)oxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
• PubChem CID: 90099750
• Molecular Formula: C26H17N5O3S2
• Molecular Weight: 511.59 g/mol
• Exact Mass: 511.08
• IUPAC Name: 3-cyano-4-[(6-phenyl-4-pyridin-4-yl-3-pyridinyl)oxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
• SMILES: N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1cnc(-c2ccccc2)cc1-c1ccncc1
• InChI: InChI=1S/C26H17N5O3S2/c27-16-20-14-21(36(32,33)31-26-29-12-13-35-26)6-7-24(20)34-25-17-30-23(19-4-2-1-3-5-19)15-22(25)18-8-10-28-11-9-18/h1-15,17H,(H,29,31)
• InChIKey: YLAZNNIZXBGUPJ-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 117.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.59
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-[(6-phenyl-4-pyridin-4-yl-3-pyridinyl)oxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The IUPAC name of 3-cyano-4-[(6-phenyl-4-pyridin-4-yl-3-pyridinyl)oxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 90099750) is 3-cyano-4-[(6-phenyl-4-pyridin-4-yl-3-pyridinyl)oxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

What is the SMILES notation for 3-cyano-4-[(6-phenyl-4-pyridin-4-yl-3-pyridinyl)oxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The canonical SMILES for 3-cyano-4-[(6-phenyl-4-pyridin-4-yl-3-pyridinyl)oxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide is N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1cnc(-c2ccccc2)cc1-c1ccncc1.

What is the InChIKey of 3-cyano-4-[(6-phenyl-4-pyridin-4-yl-3-pyridinyl)oxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The InChIKey is YLAZNNIZXBGUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N5O3S2/c27-16-20-14-21(36(32,33)31-26-29-12-13-35-26)6-7-24(20)34-25-17-30-23(19-4-2-1-3-5-19)15-22(25)18-8-10-28-11-9-18/h1-15,17H,(H,29,31).

What are the key properties of 3-cyano-4-[(6-phenyl-4-pyridin-4-yl-3-pyridinyl)oxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

3-cyano-4-[(6-phenyl-4-pyridin-4-yl-3-pyridinyl)oxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 511.59 g/mol, XLogP of 5.73, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyano-4-[(6-phenyl-4-pyridin-4-yl-3-pyridinyl)oxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 90099750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).