(2S)-5-fluoro-2-methyl-1-[1-(4-pyridin-2-ylphenyl)azetidine-3-carbonyl]-2,3-dihydroindole-6-sulfonamide

C24H23FN4O3S — CID 178151811

About (2S)-5-fluoro-2-methyl-1-[1-(4-pyridin-2-ylphenyl)azetidine-3-carbonyl]-2,3-dihydroindole-6-sulfonamide

(2S)-5-fluoro-2-methyl-1-[1-(4-pyridin-2-ylphenyl)azetidine-3-carbonyl]-2,3-dihydroindole-6-sulfonamide (PubChem CID 178151811) has the molecular formula C24H23FN4O3S and a molecular weight of 466.54 g/mol. Its IUPAC name is (2S)-5-fluoro-2-methyl-1-[1-(4-pyridin-2-ylphenyl)azetidine-3-carbonyl]-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

• Compound Name: (2S)-5-fluoro-2-methyl-1-[1-(4-pyridin-2-ylphenyl)azetidine-3-carbonyl]-2,3-dihydroindole-6-sulfonamide
• PubChem CID: 178151811
• Molecular Formula: C24H23FN4O3S
• Molecular Weight: 466.54 g/mol
• Exact Mass: 466.15
• IUPAC Name: (2S)-5-fluoro-2-methyl-1-[1-(4-pyridin-2-ylphenyl)azetidine-3-carbonyl]-2,3-dihydroindole-6-sulfonamide
• SMILES: C[C@H]1Cc2cc(F)c(S(N)(=O)=O)cc2N1C(=O)C1CN(c2ccc(-c3ccccn3)cc2)C1
• InChI: InChI=1S/C24H23FN4O3S/c1-15-10-17-11-20(25)23(33(26,31)32)12-22(17)29(15)24(30)18-13-28(14-18)19-7-5-16(6-8-19)21-4-2-3-9-27-21/h2-9,11-12,15,18H,10,13-14H2,1H3,(H2,26,31,32)/t15-/m0/s1
• InChIKey: YSJZDACOFYTHAU-HNNXBMFYSA-N
• XLogP: 2.95
• TPSA: 96.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.54
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-5-fluoro-2-methyl-1-[1-(4-pyridin-2-ylphenyl)azetidine-3-carbonyl]-2,3-dihydroindole-6-sulfonamide?

The IUPAC name of (2S)-5-fluoro-2-methyl-1-[1-(4-pyridin-2-ylphenyl)azetidine-3-carbonyl]-2,3-dihydroindole-6-sulfonamide (CID 178151811) is (2S)-5-fluoro-2-methyl-1-[1-(4-pyridin-2-ylphenyl)azetidine-3-carbonyl]-2,3-dihydroindole-6-sulfonamide.

What is the SMILES notation for (2S)-5-fluoro-2-methyl-1-[1-(4-pyridin-2-ylphenyl)azetidine-3-carbonyl]-2,3-dihydroindole-6-sulfonamide?

The canonical SMILES for (2S)-5-fluoro-2-methyl-1-[1-(4-pyridin-2-ylphenyl)azetidine-3-carbonyl]-2,3-dihydroindole-6-sulfonamide is C[C@H]1Cc2cc(F)c(S(N)(=O)=O)cc2N1C(=O)C1CN(c2ccc(-c3ccccn3)cc2)C1.

What is the InChIKey of (2S)-5-fluoro-2-methyl-1-[1-(4-pyridin-2-ylphenyl)azetidine-3-carbonyl]-2,3-dihydroindole-6-sulfonamide?

The InChIKey is YSJZDACOFYTHAU-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H23FN4O3S/c1-15-10-17-11-20(25)23(33(26,31)32)12-22(17)29(15)24(30)18-13-28(14-18)19-7-5-16(6-8-19)21-4-2-3-9-27-21/h2-9,11-12,15,18H,10,13-14H2,1H3,(H2,26,31,32)/t15-/m0/s1.

What are the key properties of (2S)-5-fluoro-2-methyl-1-[1-(4-pyridin-2-ylphenyl)azetidine-3-carbonyl]-2,3-dihydroindole-6-sulfonamide?

(2S)-5-fluoro-2-methyl-1-[1-(4-pyridin-2-ylphenyl)azetidine-3-carbonyl]-2,3-dihydroindole-6-sulfonamide has a molecular weight of 466.54 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-5-fluoro-2-methyl-1-[1-(4-pyridin-2-ylphenyl)azetidine-3-carbonyl]-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 178151811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).