3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C19H14FN3O3S3 — CID 71719345

About 3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide

3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 71719345) has the molecular formula C19H14FN3O3S3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: 3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
• PubChem CID: 71719345
• Molecular Formula: C19H14FN3O3S3
• Molecular Weight: 447.54 g/mol
• Exact Mass: 447.02
• IUPAC Name: 3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
• SMILES: Cc1nc(-c2ccccc2Oc2ccc(S(=O)(=O)Nc3nccs3)cc2F)cs1
• InChI: InChI=1S/C19H14FN3O3S3/c1-12-22-16(11-28-12)14-4-2-3-5-17(14)26-18-7-6-13(10-15(18)20)29(24,25)23-19-21-8-9-27-19/h2-11H,1H3,(H,21,23)
• InChIKey: POUZJAAWKPZSFE-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 81.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.54
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The IUPAC name of 3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 71719345) is 3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

What is the SMILES notation for 3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The canonical SMILES for 3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide is Cc1nc(-c2ccccc2Oc2ccc(S(=O)(=O)Nc3nccs3)cc2F)cs1.

What is the InChIKey of 3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The InChIKey is POUZJAAWKPZSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O3S3/c1-12-22-16(11-28-12)14-4-2-3-5-17(14)26-18-7-6-13(10-15(18)20)29(24,25)23-19-21-8-9-27-19/h2-11H,1H3,(H,21,23).

What are the key properties of 3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 447.54 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 71719345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).