5-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)piperidine-3,4-diol

C20H20F2N2O5S — CID 135285794

About 5-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)piperidine-3,4-diol

5-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)piperidine-3,4-diol (PubChem CID 135285794) has the molecular formula C20H20F2N2O5S and a molecular weight of 438.45 g/mol. Its IUPAC name is 5-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)piperidine-3,4-diol.

Molecular Properties

• Compound Name: 5-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)piperidine-3,4-diol
• PubChem CID: 135285794
• Molecular Formula: C20H20F2N2O5S
• Molecular Weight: 438.45 g/mol
• Exact Mass: 438.11
• IUPAC Name: 5-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)piperidine-3,4-diol
• SMILES: O=S(=O)(c1ccc(-c2c[nH]c3cc(F)ccc23)cc1)N1CC(F)C(O)C(O)C1CO
• InChI: InChI=1S/C20H20F2N2O5S/c21-12-3-6-14-15(8-23-17(14)7-12)11-1-4-13(5-2-11)30(28,29)24-9-16(22)19(26)20(27)18(24)10-25/h1-8,16,18-20,23,25-27H,9-10H2
• InChIKey: BEFLCWOSSCEMOC-UHFFFAOYSA-N
• XLogP: 1.40
• TPSA: 113.86 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.45
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)piperidine-3,4-diol?

The IUPAC name of 5-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)piperidine-3,4-diol (CID 135285794) is 5-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)piperidine-3,4-diol.

What is the SMILES notation for 5-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)piperidine-3,4-diol?

The canonical SMILES for 5-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)piperidine-3,4-diol is O=S(=O)(c1ccc(-c2c[nH]c3cc(F)ccc23)cc1)N1CC(F)C(O)C(O)C1CO.

What is the InChIKey of 5-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)piperidine-3,4-diol?

The InChIKey is BEFLCWOSSCEMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O5S/c21-12-3-6-14-15(8-23-17(14)7-12)11-1-4-13(5-2-11)30(28,29)24-9-16(22)19(26)20(27)18(24)10-25/h1-8,16,18-20,23,25-27H,9-10H2.

What are the key properties of 5-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)piperidine-3,4-diol?

5-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)piperidine-3,4-diol has a molecular weight of 438.45 g/mol, XLogP of 1.40, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-1-[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonyl-2-(hydroxymethyl)piperidine-3,4-diol is sourced from PubChem (CID 135285794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).