3-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]-N-propan-2-ylazetidine-1-sulfonamide

C24H30FN3O3S — CID 169303411

About 3-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]-N-propan-2-ylazetidine-1-sulfonamide

3-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]-N-propan-2-ylazetidine-1-sulfonamide (PubChem CID 169303411) has the molecular formula C24H30FN3O3S and a molecular weight of 459.59 g/mol. Its IUPAC name is 3-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]-N-propan-2-ylazetidine-1-sulfonamide.

Molecular Properties

• Compound Name: 3-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]-N-propan-2-ylazetidine-1-sulfonamide
• PubChem CID: 169303411
• Molecular Formula: C24H30FN3O3S
• Molecular Weight: 459.59 g/mol
• Exact Mass: 459.20
• IUPAC Name: 3-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]-N-propan-2-ylazetidine-1-sulfonamide
• SMILES: Cc1cc(-n2c(C(C)C)c(C3CN(S(=O)(=O)NC(C)C)C3)c3cc(O)ccc32)ccc1F
• InChI: InChI=1S/C24H30FN3O3S/c1-14(2)24-23(17-12-27(13-17)32(30,31)26-15(3)4)20-11-19(29)7-9-22(20)28(24)18-6-8-21(25)16(5)10-18/h6-11,14-15,17,26,29H,12-13H2,1-5H3
• InChIKey: KANJFWFHLISGME-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 74.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.59
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]-N-propan-2-ylazetidine-1-sulfonamide?

The IUPAC name of 3-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]-N-propan-2-ylazetidine-1-sulfonamide (CID 169303411) is 3-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]-N-propan-2-ylazetidine-1-sulfonamide.

What is the SMILES notation for 3-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]-N-propan-2-ylazetidine-1-sulfonamide?

The canonical SMILES for 3-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]-N-propan-2-ylazetidine-1-sulfonamide is Cc1cc(-n2c(C(C)C)c(C3CN(S(=O)(=O)NC(C)C)C3)c3cc(O)ccc32)ccc1F.

What is the InChIKey of 3-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]-N-propan-2-ylazetidine-1-sulfonamide?

The InChIKey is KANJFWFHLISGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O3S/c1-14(2)24-23(17-12-27(13-17)32(30,31)26-15(3)4)20-11-19(29)7-9-22(20)28(24)18-6-8-21(25)16(5)10-18/h6-11,14-15,17,26,29H,12-13H2,1-5H3.

What are the key properties of 3-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]-N-propan-2-ylazetidine-1-sulfonamide?

3-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]-N-propan-2-ylazetidine-1-sulfonamide has a molecular weight of 459.59 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]-N-propan-2-ylazetidine-1-sulfonamide is sourced from PubChem (CID 169303411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).