N-[(8S)-8-(2-methylbutan-2-yl)-6,7,8,9-tetrahydrodibenzofuran-2-yl]quinoline-8-sulfonamide

C26H28N2O3S — CID 7934673

About N-[(8S)-8-(2-methylbutan-2-yl)-6,7,8,9-tetrahydrodibenzofuran-2-yl]quinoline-8-sulfonamide

N-[(8S)-8-(2-methylbutan-2-yl)-6,7,8,9-tetrahydrodibenzofuran-2-yl]quinoline-8-sulfonamide (PubChem CID 7934673) has the molecular formula C26H28N2O3S and a molecular weight of 448.59 g/mol. Its IUPAC name is N-[(8S)-8-(2-methylbutan-2-yl)-6,7,8,9-tetrahydrodibenzofuran-2-yl]quinoline-8-sulfonamide.

Molecular Properties

• Compound Name: N-[(8S)-8-(2-methylbutan-2-yl)-6,7,8,9-tetrahydrodibenzofuran-2-yl]quinoline-8-sulfonamide
• PubChem CID: 7934673
• Molecular Formula: C26H28N2O3S
• Molecular Weight: 448.59 g/mol
• Exact Mass: 448.18
• IUPAC Name: N-[(8S)-8-(2-methylbutan-2-yl)-6,7,8,9-tetrahydrodibenzofuran-2-yl]quinoline-8-sulfonamide
• SMILES: CCC(C)(C)[C@H]1CCc2oc3ccc(NS(=O)(=O)c4cccc5cccnc45)cc3c2C1
• InChI: InChI=1S/C26H28N2O3S/c1-4-26(2,3)18-10-12-22-20(15-18)21-16-19(11-13-23(21)31-22)28-32(29,30)24-9-5-7-17-8-6-14-27-25(17)24/h5-9,11,13-14,16,18,28H,4,10,12,15H2,1-3H3/t18-/m0/s1
• InChIKey: ZLSNFQDVUCZEGE-SFHVURJKSA-N
• XLogP: 6.32
• TPSA: 72.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.59
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(8S)-8-(2-methylbutan-2-yl)-6,7,8,9-tetrahydrodibenzofuran-2-yl]quinoline-8-sulfonamide?

The IUPAC name of N-[(8S)-8-(2-methylbutan-2-yl)-6,7,8,9-tetrahydrodibenzofuran-2-yl]quinoline-8-sulfonamide (CID 7934673) is N-[(8S)-8-(2-methylbutan-2-yl)-6,7,8,9-tetrahydrodibenzofuran-2-yl]quinoline-8-sulfonamide.

What is the SMILES notation for N-[(8S)-8-(2-methylbutan-2-yl)-6,7,8,9-tetrahydrodibenzofuran-2-yl]quinoline-8-sulfonamide?

The canonical SMILES for N-[(8S)-8-(2-methylbutan-2-yl)-6,7,8,9-tetrahydrodibenzofuran-2-yl]quinoline-8-sulfonamide is CCC(C)(C)[C@H]1CCc2oc3ccc(NS(=O)(=O)c4cccc5cccnc45)cc3c2C1.

What is the InChIKey of N-[(8S)-8-(2-methylbutan-2-yl)-6,7,8,9-tetrahydrodibenzofuran-2-yl]quinoline-8-sulfonamide?

The InChIKey is ZLSNFQDVUCZEGE-SFHVURJKSA-N. The full InChI is InChI=1S/C26H28N2O3S/c1-4-26(2,3)18-10-12-22-20(15-18)21-16-19(11-13-23(21)31-22)28-32(29,30)24-9-5-7-17-8-6-14-27-25(17)24/h5-9,11,13-14,16,18,28H,4,10,12,15H2,1-3H3/t18-/m0/s1.

What are the key properties of N-[(8S)-8-(2-methylbutan-2-yl)-6,7,8,9-tetrahydrodibenzofuran-2-yl]quinoline-8-sulfonamide?

N-[(8S)-8-(2-methylbutan-2-yl)-6,7,8,9-tetrahydrodibenzofuran-2-yl]quinoline-8-sulfonamide has a molecular weight of 448.59 g/mol, XLogP of 6.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(8S)-8-(2-methylbutan-2-yl)-6,7,8,9-tetrahydrodibenzofuran-2-yl]quinoline-8-sulfonamide is sourced from PubChem (CID 7934673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).