2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-fluoroanilino]-N-(9-ethylcarbazol-3-yl)acetamide

C30H26FN3O5S — CID 43900903

About 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-fluoroanilino]-N-(9-ethylcarbazol-3-yl)acetamide

2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-fluoroanilino]-N-(9-ethylcarbazol-3-yl)acetamide (PubChem CID 43900903) has the molecular formula C30H26FN3O5S and a molecular weight of 559.62 g/mol. Its IUPAC name is 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-fluoroanilino]-N-(9-ethylcarbazol-3-yl)acetamide.

Molecular Properties

• Compound Name: 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-fluoroanilino]-N-(9-ethylcarbazol-3-yl)acetamide
• PubChem CID: 43900903
• Molecular Formula: C30H26FN3O5S
• Molecular Weight: 559.62 g/mol
• Exact Mass: 559.16
• IUPAC Name: 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-fluoroanilino]-N-(9-ethylcarbazol-3-yl)acetamide
• SMILES: CCn1c2ccccc2c2cc(NC(=O)CN(c3cccc(F)c3)S(=O)(=O)c3ccc4c(c3)OCCO4)ccc21
• InChI: InChI=1S/C30H26FN3O5S/c1-2-33-26-9-4-3-8-24(26)25-17-21(10-12-27(25)33)32-30(35)19-34(22-7-5-6-20(31)16-22)40(36,37)23-11-13-28-29(18-23)39-15-14-38-28/h3-13,16-18H,2,14-15,19H2,1H3,(H,32,35)
• InChIKey: SUKYUNGDHCXQLP-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 89.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.62
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-fluoroanilino]-N-(9-ethylcarbazol-3-yl)acetamide?

The IUPAC name of 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-fluoroanilino]-N-(9-ethylcarbazol-3-yl)acetamide (CID 43900903) is 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-fluoroanilino]-N-(9-ethylcarbazol-3-yl)acetamide.

What is the SMILES notation for 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-fluoroanilino]-N-(9-ethylcarbazol-3-yl)acetamide?

The canonical SMILES for 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-fluoroanilino]-N-(9-ethylcarbazol-3-yl)acetamide is CCn1c2ccccc2c2cc(NC(=O)CN(c3cccc(F)c3)S(=O)(=O)c3ccc4c(c3)OCCO4)ccc21.

What is the InChIKey of 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-fluoroanilino]-N-(9-ethylcarbazol-3-yl)acetamide?

The InChIKey is SUKYUNGDHCXQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN3O5S/c1-2-33-26-9-4-3-8-24(26)25-17-21(10-12-27(25)33)32-30(35)19-34(22-7-5-6-20(31)16-22)40(36,37)23-11-13-28-29(18-23)39-15-14-38-28/h3-13,16-18H,2,14-15,19H2,1H3,(H,32,35).

What are the key properties of 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-fluoroanilino]-N-(9-ethylcarbazol-3-yl)acetamide?

2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-fluoroanilino]-N-(9-ethylcarbazol-3-yl)acetamide has a molecular weight of 559.62 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-fluoroanilino]-N-(9-ethylcarbazol-3-yl)acetamide is sourced from PubChem (CID 43900903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).