4-[[4-(2-fluorophenyl)-2-(furan-3-yl)phenyl]-hydroxymethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C26H19FN2O4S2 — CID 90100222

About 4-[[4-(2-fluorophenyl)-2-(furan-3-yl)phenyl]-hydroxymethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[[4-(2-fluorophenyl)-2-(furan-3-yl)phenyl]-hydroxymethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 90100222) has the molecular formula C26H19FN2O4S2 and a molecular weight of 506.58 g/mol. Its IUPAC name is 4-[[4-(2-fluorophenyl)-2-(furan-3-yl)phenyl]-hydroxymethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: 4-[[4-(2-fluorophenyl)-2-(furan-3-yl)phenyl]-hydroxymethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
• PubChem CID: 90100222
• Molecular Formula: C26H19FN2O4S2
• Molecular Weight: 506.58 g/mol
• Exact Mass: 506.08
• IUPAC Name: 4-[[4-(2-fluorophenyl)-2-(furan-3-yl)phenyl]-hydroxymethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
• SMILES: O=S(=O)(Nc1nccs1)c1ccc(C(O)c2ccc(-c3ccccc3F)cc2-c2ccoc2)cc1
• InChI: InChI=1S/C26H19FN2O4S2/c27-24-4-2-1-3-21(24)18-7-10-22(23(15-18)19-11-13-33-16-19)25(30)17-5-8-20(9-6-17)35(31,32)29-26-28-12-14-34-26/h1-16,25,30H,(H,28,29)
• InChIKey: GOWCBAXZLFTCDI-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 92.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.58
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-fluorophenyl)-2-(furan-3-yl)phenyl]-hydroxymethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The IUPAC name of 4-[[4-(2-fluorophenyl)-2-(furan-3-yl)phenyl]-hydroxymethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 90100222) is 4-[[4-(2-fluorophenyl)-2-(furan-3-yl)phenyl]-hydroxymethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

What is the SMILES notation for 4-[[4-(2-fluorophenyl)-2-(furan-3-yl)phenyl]-hydroxymethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The canonical SMILES for 4-[[4-(2-fluorophenyl)-2-(furan-3-yl)phenyl]-hydroxymethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nccs1)c1ccc(C(O)c2ccc(-c3ccccc3F)cc2-c2ccoc2)cc1.

What is the InChIKey of 4-[[4-(2-fluorophenyl)-2-(furan-3-yl)phenyl]-hydroxymethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

The InChIKey is GOWCBAXZLFTCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN2O4S2/c27-24-4-2-1-3-21(24)18-7-10-22(23(15-18)19-11-13-33-16-19)25(30)17-5-8-20(9-6-17)35(31,32)29-26-28-12-14-34-26/h1-16,25,30H,(H,28,29).

What are the key properties of 4-[[4-(2-fluorophenyl)-2-(furan-3-yl)phenyl]-hydroxymethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?

4-[[4-(2-fluorophenyl)-2-(furan-3-yl)phenyl]-hydroxymethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 506.58 g/mol, XLogP of 6.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-(2-fluorophenyl)-2-(furan-3-yl)phenyl]-hydroxymethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 90100222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).