N-[2-[4-(acetylsulfamoyl)phenyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide

C25H22FN3O5S — CID 59019348

About N-[2-[4-(acetylsulfamoyl)phenyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide

N-[2-[4-(acetylsulfamoyl)phenyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide (PubChem CID 59019348) has the molecular formula C25H22FN3O5S and a molecular weight of 495.53 g/mol. Its IUPAC name is N-[2-[4-(acetylsulfamoyl)phenyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-(acetylsulfamoyl)phenyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide
• PubChem CID: 59019348
• Molecular Formula: C25H22FN3O5S
• Molecular Weight: 495.53 g/mol
• Exact Mass: 495.13
• IUPAC Name: N-[2-[4-(acetylsulfamoyl)phenyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide
• SMILES: CC(=O)NS(=O)(=O)c1ccc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)cc1
• InChI: InChI=1S/C25H22FN3O5S/c1-14(30)29-35(33,34)16-10-8-15(9-11-16)25(2,3)28-24(32)18-13-22-19(12-20(18)26)23(31)17-6-4-5-7-21(17)27-22/h4-13H,1-3H3,(H,27,31)(H,28,32)(H,29,30)
• InChIKey: VWLQQZDFQSNQFB-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 125.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.53
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(acetylsulfamoyl)phenyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide?

The IUPAC name of N-[2-[4-(acetylsulfamoyl)phenyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide (CID 59019348) is N-[2-[4-(acetylsulfamoyl)phenyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide.

What is the SMILES notation for N-[2-[4-(acetylsulfamoyl)phenyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide?

The canonical SMILES for N-[2-[4-(acetylsulfamoyl)phenyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide is CC(=O)NS(=O)(=O)c1ccc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)cc1.

What is the InChIKey of N-[2-[4-(acetylsulfamoyl)phenyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide?

The InChIKey is VWLQQZDFQSNQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O5S/c1-14(30)29-35(33,34)16-10-8-15(9-11-16)25(2,3)28-24(32)18-13-22-19(12-20(18)26)23(31)17-6-4-5-7-21(17)27-22/h4-13H,1-3H3,(H,27,31)(H,28,32)(H,29,30).

What are the key properties of N-[2-[4-(acetylsulfamoyl)phenyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide?

N-[2-[4-(acetylsulfamoyl)phenyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide has a molecular weight of 495.53 g/mol, XLogP of 3.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(acetylsulfamoyl)phenyl]propan-2-yl]-2-fluoro-9-oxo-10H-acridine-3-carboxamide is sourced from PubChem (CID 59019348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).