2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[5-(methylamino)-1H-indol-3-yl]propan-2-yl]benzenesulfonamide

C21H24F3N3O2S — CID 162603823

About 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[5-(methylamino)-1H-indol-3-yl]propan-2-yl]benzenesulfonamide

2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[5-(methylamino)-1H-indol-3-yl]propan-2-yl]benzenesulfonamide (PubChem CID 162603823) has the molecular formula C21H24F3N3O2S and a molecular weight of 439.50 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[5-(methylamino)-1H-indol-3-yl]propan-2-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[5-(methylamino)-1H-indol-3-yl]propan-2-yl]benzenesulfonamide
• PubChem CID: 162603823
• Molecular Formula: C21H24F3N3O2S
• Molecular Weight: 439.50 g/mol
• Exact Mass: 439.15
• IUPAC Name: 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[5-(methylamino)-1H-indol-3-yl]propan-2-yl]benzenesulfonamide
• SMILES: CNc1ccc2[nH]cc(CC(NS(=O)(=O)c3c(C)cc(C)cc3C)C(F)(F)F)c2c1
• InChI: InChI=1S/C21H24F3N3O2S/c1-12-7-13(2)20(14(3)8-12)30(28,29)27-19(21(22,23)24)9-15-11-26-18-6-5-16(25-4)10-17(15)18/h5-8,10-11,19,25-27H,9H2,1-4H3
• InChIKey: XUKQYBSOPVPFGJ-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 73.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.50
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[5-(methylamino)-1H-indol-3-yl]propan-2-yl]benzenesulfonamide?

The IUPAC name of 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[5-(methylamino)-1H-indol-3-yl]propan-2-yl]benzenesulfonamide (CID 162603823) is 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[5-(methylamino)-1H-indol-3-yl]propan-2-yl]benzenesulfonamide.

What is the SMILES notation for 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[5-(methylamino)-1H-indol-3-yl]propan-2-yl]benzenesulfonamide?

The canonical SMILES for 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[5-(methylamino)-1H-indol-3-yl]propan-2-yl]benzenesulfonamide is CNc1ccc2[nH]cc(CC(NS(=O)(=O)c3c(C)cc(C)cc3C)C(F)(F)F)c2c1.

What is the InChIKey of 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[5-(methylamino)-1H-indol-3-yl]propan-2-yl]benzenesulfonamide?

The InChIKey is XUKQYBSOPVPFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O2S/c1-12-7-13(2)20(14(3)8-12)30(28,29)27-19(21(22,23)24)9-15-11-26-18-6-5-16(25-4)10-17(15)18/h5-8,10-11,19,25-27H,9H2,1-4H3.

What are the key properties of 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[5-(methylamino)-1H-indol-3-yl]propan-2-yl]benzenesulfonamide?

2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[5-(methylamino)-1H-indol-3-yl]propan-2-yl]benzenesulfonamide has a molecular weight of 439.50 g/mol, XLogP of 4.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[5-(methylamino)-1H-indol-3-yl]propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 162603823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).