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

C24H23N3O4S — CID 170593393

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

1-[5-(6-methoxy-2-pyridinyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide (PubChem CID 170593393) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is 1-[5-(6-methoxy-2-pyridinyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

• Compound Name: 1-[5-(6-methoxy-2-pyridinyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide
• PubChem CID: 170593393
• Molecular Formula: C24H23N3O4S
• Molecular Weight: 449.53 g/mol
• Exact Mass: 449.14
• IUPAC Name: 1-[5-(6-methoxy-2-pyridinyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide
• SMILES: COc1cccc(-c2ccc3c(c2)CC(C(=O)N2CCc4ccc(S(N)(=O)=O)cc42)C3)n1
• InChI: InChI=1S/C24H23N3O4S/c1-31-23-4-2-3-21(26-23)17-6-5-16-11-19(13-18(16)12-17)24(28)27-10-9-15-7-8-20(14-22(15)27)32(25,29)30/h2-8,12,14,19H,9-11,13H2,1H3,(H2,25,29,30)
• InChIKey: OMAZFZMLDAMPAU-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 102.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.53
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[5-(6-methoxy-2-pyridinyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide (CID 170593393) is 1-[5-(6-methoxy-2-pyridinyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide.

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

The canonical SMILES for 1-[5-(6-methoxy-2-pyridinyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide is COc1cccc(-c2ccc3c(c2)CC(C(=O)N2CCc4ccc(S(N)(=O)=O)cc42)C3)n1.

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

The InChIKey is OMAZFZMLDAMPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-31-23-4-2-3-21(26-23)17-6-5-16-11-19(13-18(16)12-17)24(28)27-10-9-15-7-8-20(14-22(15)27)32(25,29)30/h2-8,12,14,19H,9-11,13H2,1H3,(H2,25,29,30).

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

1-[5-(6-methoxy-2-pyridinyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide has a molecular weight of 449.53 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(6-methoxy-2-pyridinyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 170593393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).