1-(5-pyridin-3-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide

C23H21N3O3S — CID 174219886

About 1-(5-pyridin-3-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide

1-(5-pyridin-3-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide (PubChem CID 174219886) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is 1-(5-pyridin-3-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

• Compound Name: 1-(5-pyridin-3-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide
• PubChem CID: 174219886
• Molecular Formula: C23H21N3O3S
• Molecular Weight: 419.51 g/mol
• Exact Mass: 419.13
• IUPAC Name: 1-(5-pyridin-3-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide
• SMILES: NS(=O)(=O)c1ccc2c(c1)N(C(=O)C1Cc3ccc(-c4cccnc4)cc3C1)CC2
• InChI: InChI=1S/C23H21N3O3S/c24-30(28,29)21-6-5-15-7-9-26(22(15)13-21)23(27)20-11-17-4-3-16(10-19(17)12-20)18-2-1-8-25-14-18/h1-6,8,10,13-14,20H,7,9,11-12H2,(H2,24,28,29)
• InChIKey: DUPRXRAFEINORH-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 93.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.51
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(5-pyridin-3-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide?

The IUPAC name of 1-(5-pyridin-3-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide (CID 174219886) is 1-(5-pyridin-3-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide.

What is the SMILES notation for 1-(5-pyridin-3-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide?

The canonical SMILES for 1-(5-pyridin-3-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide is NS(=O)(=O)c1ccc2c(c1)N(C(=O)C1Cc3ccc(-c4cccnc4)cc3C1)CC2.

What is the InChIKey of 1-(5-pyridin-3-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide?

The InChIKey is DUPRXRAFEINORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c24-30(28,29)21-6-5-15-7-9-26(22(15)13-21)23(27)20-11-17-4-3-16(10-19(17)12-20)18-2-1-8-25-14-18/h1-6,8,10,13-14,20H,7,9,11-12H2,(H2,24,28,29).

What are the key properties of 1-(5-pyridin-3-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide?

1-(5-pyridin-3-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide has a molecular weight of 419.51 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-pyridin-3-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 174219886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).