2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-fluoro-5-(2-oxoimidazolidin-1-yl)phenyl]benzamide

C24H21FN4O6S — CID 166324651

About 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-fluoro-5-(2-oxoimidazolidin-1-yl)phenyl]benzamide

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-fluoro-5-(2-oxoimidazolidin-1-yl)phenyl]benzamide (PubChem CID 166324651) has the molecular formula C24H21FN4O6S and a molecular weight of 512.52 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-fluoro-5-(2-oxoimidazolidin-1-yl)phenyl]benzamide.

Molecular Properties

• Compound Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-fluoro-5-(2-oxoimidazolidin-1-yl)phenyl]benzamide
• PubChem CID: 166324651
• Molecular Formula: C24H21FN4O6S
• Molecular Weight: 512.52 g/mol
• Exact Mass: 512.12
• IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-fluoro-5-(2-oxoimidazolidin-1-yl)phenyl]benzamide
• SMILES: O=C(Nc1cc(N2CCNC2=O)ccc1F)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2
• InChI: InChI=1S/C24H21FN4O6S/c25-18-7-5-15(29-10-9-26-24(29)31)13-20(18)27-23(30)17-3-1-2-4-19(17)28-36(32,33)16-6-8-21-22(14-16)35-12-11-34-21/h1-8,13-14,28H,9-12H2,(H,26,31)(H,27,30)
• InChIKey: OPJFKAZUXMYWSD-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 126.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.52
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-fluoro-5-(2-oxoimidazolidin-1-yl)phenyl]benzamide?

The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-fluoro-5-(2-oxoimidazolidin-1-yl)phenyl]benzamide (CID 166324651) is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-fluoro-5-(2-oxoimidazolidin-1-yl)phenyl]benzamide.

What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-fluoro-5-(2-oxoimidazolidin-1-yl)phenyl]benzamide?

The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-fluoro-5-(2-oxoimidazolidin-1-yl)phenyl]benzamide is O=C(Nc1cc(N2CCNC2=O)ccc1F)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2.

What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-fluoro-5-(2-oxoimidazolidin-1-yl)phenyl]benzamide?

The InChIKey is OPJFKAZUXMYWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O6S/c25-18-7-5-15(29-10-9-26-24(29)31)13-20(18)27-23(30)17-3-1-2-4-19(17)28-36(32,33)16-6-8-21-22(14-16)35-12-11-34-21/h1-8,13-14,28H,9-12H2,(H,26,31)(H,27,30).

What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-fluoro-5-(2-oxoimidazolidin-1-yl)phenyl]benzamide?

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-fluoro-5-(2-oxoimidazolidin-1-yl)phenyl]benzamide has a molecular weight of 512.52 g/mol, XLogP of 3.18, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-fluoro-5-(2-oxoimidazolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 166324651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).