9H-fluoren-9-ylmethyl N-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propylsulfamoyl]carbamate

C28H22BrFN6O7S — CID 152980603

About 9H-fluoren-9-ylmethyl N-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propylsulfamoyl]carbamate

9H-fluoren-9-ylmethyl N-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propylsulfamoyl]carbamate (PubChem CID 152980603) has the molecular formula C28H22BrFN6O7S and a molecular weight of 685.49 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propylsulfamoyl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propylsulfamoyl]carbamate
• PubChem CID: 152980603
• Molecular Formula: C28H22BrFN6O7S
• Molecular Weight: 685.49 g/mol
• Exact Mass: 684.04
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propylsulfamoyl]carbamate
• SMILES: O=C(NS(=O)(=O)NCCCc1nonc1-c1noc(=O)n1-c1ccc(F)c(Br)c1)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C28H22BrFN6O7S/c29-22-14-16(11-12-23(22)30)36-26(34-42-28(36)38)25-24(32-43-33-25)10-5-13-31-44(39,40)35-27(37)41-15-21-19-8-3-1-6-17(19)18-7-2-4-9-20(18)21/h1-4,6-9,11-12,14,21,31H,5,10,13,15H2,(H,35,37)
• InChIKey: UUHIFPKDKBDDBZ-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 171.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	685.49
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propylsulfamoyl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propylsulfamoyl]carbamate (CID 152980603) is 9H-fluoren-9-ylmethyl N-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propylsulfamoyl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propylsulfamoyl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propylsulfamoyl]carbamate is O=C(NS(=O)(=O)NCCCc1nonc1-c1noc(=O)n1-c1ccc(F)c(Br)c1)OCC1c2ccccc2-c2ccccc21.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propylsulfamoyl]carbamate?

The InChIKey is UUHIFPKDKBDDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22BrFN6O7S/c29-22-14-16(11-12-23(22)30)36-26(34-42-28(36)38)25-24(32-43-33-25)10-5-13-31-44(39,40)35-27(37)41-15-21-19-8-3-1-6-17(19)18-7-2-4-9-20(18)21/h1-4,6-9,11-12,14,21,31H,5,10,13,15H2,(H,35,37).

What are the key properties of 9H-fluoren-9-ylmethyl N-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propylsulfamoyl]carbamate?

9H-fluoren-9-ylmethyl N-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propylsulfamoyl]carbamate has a molecular weight of 685.49 g/mol, XLogP of 4.08, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[3-[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]propylsulfamoyl]carbamate is sourced from PubChem (CID 152980603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).