sodium;(3R,5R)-7-[2,3-bis(4-fluorophenyl)-4-(phenylsulfamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid;hydride

C32H35F2N2NaO6S — CID 173172417

About sodium;(3R,5R)-7-[2,3-bis(4-fluorophenyl)-4-(phenylsulfamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid;hydride

sodium;(3R,5R)-7-[2,3-bis(4-fluorophenyl)-4-(phenylsulfamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid;hydride (PubChem CID 173172417) has the molecular formula C32H35F2N2NaO6S and a molecular weight of 636.69 g/mol. Its IUPAC name is sodium;(3R,5R)-7-[2,3-bis(4-fluorophenyl)-4-(phenylsulfamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid;hydride.

Molecular Properties

• Compound Name: sodium;(3R,5R)-7-[2,3-bis(4-fluorophenyl)-4-(phenylsulfamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid;hydride
• PubChem CID: 173172417
• Molecular Formula: C32H35F2N2NaO6S
• Molecular Weight: 636.69 g/mol
• Exact Mass: 636.21
• IUPAC Name: sodium;(3R,5R)-7-[2,3-bis(4-fluorophenyl)-4-(phenylsulfamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid;hydride
• SMILES: CC(C)c1c(S(=O)(=O)Nc2ccccc2)c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O.[H-].[Na+]
• InChI: InChI=1S/C32H34F2N2O6S.Na.H/c1-20(2)30-32(43(41,42)35-25-6-4-3-5-7-25)29(21-8-12-23(33)13-9-21)31(22-10-14-24(34)15-11-22)36(30)17-16-26(37)18-27(38)19-28(39)40;;/h3-15,20,26-27,35,37-38H,16-19H2,1-2H3,(H,39,40);;/q;+1;-1/t26-,27-;;/m1../s1
• InChIKey: FJRRQEMDRGUXHC-AJUXDCMMSA-N
• XLogP: 3.12
• TPSA: 128.86 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	636.69
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of sodium;(3R,5R)-7-[2,3-bis(4-fluorophenyl)-4-(phenylsulfamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid;hydride?

The IUPAC name of sodium;(3R,5R)-7-[2,3-bis(4-fluorophenyl)-4-(phenylsulfamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid;hydride (CID 173172417) is sodium;(3R,5R)-7-[2,3-bis(4-fluorophenyl)-4-(phenylsulfamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid;hydride.

What is the SMILES notation for sodium;(3R,5R)-7-[2,3-bis(4-fluorophenyl)-4-(phenylsulfamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid;hydride?

The canonical SMILES for sodium;(3R,5R)-7-[2,3-bis(4-fluorophenyl)-4-(phenylsulfamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid;hydride is CC(C)c1c(S(=O)(=O)Nc2ccccc2)c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O.[H-].[Na+].

What is the InChIKey of sodium;(3R,5R)-7-[2,3-bis(4-fluorophenyl)-4-(phenylsulfamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid;hydride?

The InChIKey is FJRRQEMDRGUXHC-AJUXDCMMSA-N. The full InChI is InChI=1S/C32H34F2N2O6S.Na.H/c1-20(2)30-32(43(41,42)35-25-6-4-3-5-7-25)29(21-8-12-23(33)13-9-21)31(22-10-14-24(34)15-11-22)36(30)17-16-26(37)18-27(38)19-28(39)40;;/h3-15,20,26-27,35,37-38H,16-19H2,1-2H3,(H,39,40);;/q;+1;-1/t26-,27-;;/m1../s1.

What are the key properties of sodium;(3R,5R)-7-[2,3-bis(4-fluorophenyl)-4-(phenylsulfamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid;hydride?

sodium;(3R,5R)-7-[2,3-bis(4-fluorophenyl)-4-(phenylsulfamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid;hydride has a molecular weight of 636.69 g/mol, XLogP of 3.12, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;(3R,5R)-7-[2,3-bis(4-fluorophenyl)-4-(phenylsulfamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid;hydride is sourced from PubChem (CID 173172417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).