1-[(2R)-5-(2-fluorophenyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide

C24H21FN2O3S — CID 170335913

About 1-[(2R)-5-(2-fluorophenyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide

1-[(2R)-5-(2-fluorophenyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide (PubChem CID 170335913) has the molecular formula C24H21FN2O3S and a molecular weight of 436.51 g/mol. Its IUPAC name is 1-[(2R)-5-(2-fluorophenyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

• Compound Name: 1-[(2R)-5-(2-fluorophenyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide
• PubChem CID: 170335913
• Molecular Formula: C24H21FN2O3S
• Molecular Weight: 436.51 g/mol
• Exact Mass: 436.13
• IUPAC Name: 1-[(2R)-5-(2-fluorophenyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide
• SMILES: NS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1Cc3ccc(-c4ccccc4F)cc3C1)CC2
• InChI: InChI=1S/C24H21FN2O3S/c25-22-4-2-1-3-21(22)17-6-5-16-11-19(13-18(16)12-17)24(28)27-10-9-15-7-8-20(14-23(15)27)31(26,29)30/h1-8,12,14,19H,9-11,13H2,(H2,26,29,30)/t19-/m1/s1
• InChIKey: YRJVWKDCGTUADU-LJQANCHMSA-N
• XLogP: 3.44
• TPSA: 80.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.51
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-5-(2-fluorophenyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide?

The IUPAC name of 1-[(2R)-5-(2-fluorophenyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide (CID 170335913) is 1-[(2R)-5-(2-fluorophenyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide.

What is the SMILES notation for 1-[(2R)-5-(2-fluorophenyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide?

The canonical SMILES for 1-[(2R)-5-(2-fluorophenyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide is NS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1Cc3ccc(-c4ccccc4F)cc3C1)CC2.

What is the InChIKey of 1-[(2R)-5-(2-fluorophenyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide?

The InChIKey is YRJVWKDCGTUADU-LJQANCHMSA-N. The full InChI is InChI=1S/C24H21FN2O3S/c25-22-4-2-1-3-21(22)17-6-5-16-11-19(13-18(16)12-17)24(28)27-10-9-15-7-8-20(14-23(15)27)31(26,29)30/h1-8,12,14,19H,9-11,13H2,(H2,26,29,30)/t19-/m1/s1.

What are the key properties of 1-[(2R)-5-(2-fluorophenyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide?

1-[(2R)-5-(2-fluorophenyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide has a molecular weight of 436.51 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-5-(2-fluorophenyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 170335913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).