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

C22H20N4O3S — CID 174219961

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

1-(5-pyrimidin-2-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide (PubChem CID 174219961) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is 1-(5-pyrimidin-2-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

• Compound Name: 1-(5-pyrimidin-2-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide
• PubChem CID: 174219961
• Molecular Formula: C22H20N4O3S
• Molecular Weight: 420.49 g/mol
• Exact Mass: 420.13
• IUPAC Name: 1-(5-pyrimidin-2-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide
• SMILES: NS(=O)(=O)c1ccc2c(c1)N(C(=O)C1Cc3ccc(-c4ncccn4)cc3C1)CC2
• InChI: InChI=1S/C22H20N4O3S/c23-30(28,29)19-5-4-14-6-9-26(20(14)13-19)22(27)18-10-15-2-3-16(11-17(15)12-18)21-24-7-1-8-25-21/h1-5,7-8,11,13,18H,6,9-10,12H2,(H2,23,28,29)
• InChIKey: FZKXODJQWILELJ-UHFFFAOYSA-N
• XLogP: 2.10
• TPSA: 106.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.49
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-(5-pyrimidin-2-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide (CID 174219961) is 1-(5-pyrimidin-2-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide.

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

The canonical SMILES for 1-(5-pyrimidin-2-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide is NS(=O)(=O)c1ccc2c(c1)N(C(=O)C1Cc3ccc(-c4ncccn4)cc3C1)CC2.

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

The InChIKey is FZKXODJQWILELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c23-30(28,29)19-5-4-14-6-9-26(20(14)13-19)22(27)18-10-15-2-3-16(11-17(15)12-18)21-24-7-1-8-25-21/h1-5,7-8,11,13,18H,6,9-10,12H2,(H2,23,28,29).

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

1-(5-pyrimidin-2-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide has a molecular weight of 420.49 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-pyrimidin-2-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 174219961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).