7-[4-(diphenylsulfamoyl)-2,3-bis(4-fluorophenyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid

C38H38F2N2O6S — CID 11571153

About 7-[4-(diphenylsulfamoyl)-2,3-bis(4-fluorophenyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid

7-[4-(diphenylsulfamoyl)-2,3-bis(4-fluorophenyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid (PubChem CID 11571153) has the molecular formula C38H38F2N2O6S and a molecular weight of 688.79 g/mol. Its IUPAC name is 7-[4-(diphenylsulfamoyl)-2,3-bis(4-fluorophenyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid.

Molecular Properties

• Compound Name: 7-[4-(diphenylsulfamoyl)-2,3-bis(4-fluorophenyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
• PubChem CID: 11571153
• Molecular Formula: C38H38F2N2O6S
• Molecular Weight: 688.79 g/mol
• Exact Mass: 688.24
• IUPAC Name: 7-[4-(diphenylsulfamoyl)-2,3-bis(4-fluorophenyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
• SMILES: CC(C)c1c(S(=O)(=O)N(c2ccccc2)c2ccccc2)c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)O
• InChI: InChI=1S/C38H38F2N2O6S/c1-25(2)36-38(49(47,48)42(30-9-5-3-6-10-30)31-11-7-4-8-12-31)35(26-13-17-28(39)18-14-26)37(27-15-19-29(40)20-16-27)41(36)22-21-32(43)23-33(44)24-34(45)46/h3-20,25,32-33,43-44H,21-24H2,1-2H3,(H,45,46)
• InChIKey: IDEMXDXAGMQPOR-UHFFFAOYSA-N
• XLogP: 7.73
• TPSA: 120.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	688.79
LogP ≤ 5	7.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 7-[4-(diphenylsulfamoyl)-2,3-bis(4-fluorophenyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid (CID 11571153) is 7-[4-(diphenylsulfamoyl)-2,3-bis(4-fluorophenyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid.

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

The canonical SMILES for 7-[4-(diphenylsulfamoyl)-2,3-bis(4-fluorophenyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid is CC(C)c1c(S(=O)(=O)N(c2ccccc2)c2ccccc2)c(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)O.

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

The InChIKey is IDEMXDXAGMQPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38F2N2O6S/c1-25(2)36-38(49(47,48)42(30-9-5-3-6-10-30)31-11-7-4-8-12-31)35(26-13-17-28(39)18-14-26)37(27-15-19-29(40)20-16-27)41(36)22-21-32(43)23-33(44)24-34(45)46/h3-20,25,32-33,43-44H,21-24H2,1-2H3,(H,45,46).

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

7-[4-(diphenylsulfamoyl)-2,3-bis(4-fluorophenyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid has a molecular weight of 688.79 g/mol, XLogP of 7.73, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-(diphenylsulfamoyl)-2,3-bis(4-fluorophenyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid is sourced from PubChem (CID 11571153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).