(2S)-2-(difluoromethyl)-5-fluoro-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide

C24H20F3N3O3S — CID 170335979

About (2S)-2-(difluoromethyl)-5-fluoro-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide

(2S)-2-(difluoromethyl)-5-fluoro-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide (PubChem CID 170335979) has the molecular formula C24H20F3N3O3S and a molecular weight of 487.50 g/mol. Its IUPAC name is (2S)-2-(difluoromethyl)-5-fluoro-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

• Compound Name: (2S)-2-(difluoromethyl)-5-fluoro-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide
• PubChem CID: 170335979
• Molecular Formula: C24H20F3N3O3S
• Molecular Weight: 487.50 g/mol
• Exact Mass: 487.12
• IUPAC Name: (2S)-2-(difluoromethyl)-5-fluoro-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide
• SMILES: NS(=O)(=O)c1cc2c(cc1F)C[C@@H](C(F)F)N2C(=O)[C@@H]1Cc2ccc(-c3ccccn3)cc2C1
• InChI: InChI=1S/C24H20F3N3O3S/c25-18-10-16-11-21(23(26)27)30(20(16)12-22(18)34(28,32)33)24(31)17-7-13-4-5-14(8-15(13)9-17)19-3-1-2-6-29-19/h1-6,8,10,12,17,21,23H,7,9,11H2,(H2,28,32,33)/t17-,21+/m1/s1
• InChIKey: ATDAYSHEHZWJHM-UTKZUKDTSA-N
• XLogP: 3.47
• TPSA: 93.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.50
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (2S)-2-(difluoromethyl)-5-fluoro-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide (CID 170335979) is (2S)-2-(difluoromethyl)-5-fluoro-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide.

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

The canonical SMILES for (2S)-2-(difluoromethyl)-5-fluoro-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide is NS(=O)(=O)c1cc2c(cc1F)C[C@@H](C(F)F)N2C(=O)[C@@H]1Cc2ccc(-c3ccccn3)cc2C1.

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

The InChIKey is ATDAYSHEHZWJHM-UTKZUKDTSA-N. The full InChI is InChI=1S/C24H20F3N3O3S/c25-18-10-16-11-21(23(26)27)30(20(16)12-22(18)34(28,32)33)24(31)17-7-13-4-5-14(8-15(13)9-17)19-3-1-2-6-29-19/h1-6,8,10,12,17,21,23H,7,9,11H2,(H2,28,32,33)/t17-,21+/m1/s1.

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

(2S)-2-(difluoromethyl)-5-fluoro-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide has a molecular weight of 487.50 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-(difluoromethyl)-5-fluoro-1-[(2R)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 170335979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).