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

C21H19N3O3S2 — CID 170393488

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

1-[5-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide (PubChem CID 170393488) has the molecular formula C21H19N3O3S2 and a molecular weight of 425.54 g/mol. Its IUPAC name is 1-[5-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

• Compound Name: 1-[5-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide
• PubChem CID: 170393488
• Molecular Formula: C21H19N3O3S2
• Molecular Weight: 425.54 g/mol
• Exact Mass: 425.09
• IUPAC Name: 1-[5-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide
• SMILES: NS(=O)(=O)c1ccc2c(c1)N(C(=O)C1Cc3ccc(-c4nccs4)cc3C1)CC2
• InChI: InChI=1S/C21H19N3O3S2/c22-29(26,27)18-4-3-13-5-7-24(19(13)12-18)21(25)17-9-14-1-2-15(10-16(14)11-17)20-23-6-8-28-20/h1-4,6,8,10,12,17H,5,7,9,11H2,(H2,22,26,27)
• InChIKey: ZJWCJXPSMJKPBP-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 93.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.54
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[5-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide (CID 170393488) is 1-[5-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide.

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

The canonical SMILES for 1-[5-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide is NS(=O)(=O)c1ccc2c(c1)N(C(=O)C1Cc3ccc(-c4nccs4)cc3C1)CC2.

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

The InChIKey is ZJWCJXPSMJKPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S2/c22-29(26,27)18-4-3-13-5-7-24(19(13)12-18)21(25)17-9-14-1-2-15(10-16(14)11-17)20-23-6-8-28-20/h1-4,6,8,10,12,17H,5,7,9,11H2,(H2,22,26,27).

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

1-[5-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide has a molecular weight of 425.54 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 170393488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).