5-fluoro-2-methyl-1-[5-(2,3,6-trifluorophenyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide

C25H20F4N2O3S — CID 170393340

About 5-fluoro-2-methyl-1-[5-(2,3,6-trifluorophenyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide

5-fluoro-2-methyl-1-[5-(2,3,6-trifluorophenyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide (PubChem CID 170393340) has the molecular formula C25H20F4N2O3S and a molecular weight of 504.51 g/mol. Its IUPAC name is 5-fluoro-2-methyl-1-[5-(2,3,6-trifluorophenyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

• Compound Name: 5-fluoro-2-methyl-1-[5-(2,3,6-trifluorophenyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide
• PubChem CID: 170393340
• Molecular Formula: C25H20F4N2O3S
• Molecular Weight: 504.51 g/mol
• Exact Mass: 504.11
• IUPAC Name: 5-fluoro-2-methyl-1-[5-(2,3,6-trifluorophenyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide
• SMILES: CC1Cc2cc(F)c(S(N)(=O)=O)cc2N1C(=O)C1Cc2ccc(-c3c(F)ccc(F)c3F)cc2C1
• InChI: InChI=1S/C25H20F4N2O3S/c1-12-6-16-10-20(28)22(35(30,33)34)11-21(16)31(12)25(32)17-7-13-2-3-14(8-15(13)9-17)23-18(26)4-5-19(27)24(23)29/h2-5,8,10-12,17H,6-7,9H2,1H3,(H2,30,33,34)
• InChIKey: AQIOTNKTZIRIHL-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 80.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.51
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 5-fluoro-2-methyl-1-[5-(2,3,6-trifluorophenyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide (CID 170393340) is 5-fluoro-2-methyl-1-[5-(2,3,6-trifluorophenyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide.

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

The canonical SMILES for 5-fluoro-2-methyl-1-[5-(2,3,6-trifluorophenyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide is CC1Cc2cc(F)c(S(N)(=O)=O)cc2N1C(=O)C1Cc2ccc(-c3c(F)ccc(F)c3F)cc2C1.

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

The InChIKey is AQIOTNKTZIRIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F4N2O3S/c1-12-6-16-10-20(28)22(35(30,33)34)11-21(16)31(12)25(32)17-7-13-2-3-14(8-15(13)9-17)23-18(26)4-5-19(27)24(23)29/h2-5,8,10-12,17H,6-7,9H2,1H3,(H2,30,33,34).

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

5-fluoro-2-methyl-1-[5-(2,3,6-trifluorophenyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide has a molecular weight of 504.51 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-2-methyl-1-[5-(2,3,6-trifluorophenyl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 170393340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).