2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[1-(2-fluorophenyl)indazol-4-yl]oxypropan-2-yl]benzenesulfonamide

C25H23F4N3O3S — CID 16666388

About 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[1-(2-fluorophenyl)indazol-4-yl]oxypropan-2-yl]benzenesulfonamide

2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[1-(2-fluorophenyl)indazol-4-yl]oxypropan-2-yl]benzenesulfonamide (PubChem CID 16666388) has the molecular formula C25H23F4N3O3S and a molecular weight of 521.54 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[1-(2-fluorophenyl)indazol-4-yl]oxypropan-2-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[1-(2-fluorophenyl)indazol-4-yl]oxypropan-2-yl]benzenesulfonamide
• PubChem CID: 16666388
• Molecular Formula: C25H23F4N3O3S
• Molecular Weight: 521.54 g/mol
• Exact Mass: 521.14
• IUPAC Name: 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[1-(2-fluorophenyl)indazol-4-yl]oxypropan-2-yl]benzenesulfonamide
• SMILES: Cc1cc(C)c(S(=O)(=O)NC(COc2cccc3c2cnn3-c2ccccc2F)C(F)(F)F)c(C)c1
• InChI: InChI=1S/C25H23F4N3O3S/c1-15-11-16(2)24(17(3)12-15)36(33,34)31-23(25(27,28)29)14-35-22-10-6-9-20-18(22)13-30-32(20)21-8-5-4-7-19(21)26/h4-13,23,31H,14H2,1-3H3
• InChIKey: LODUISQTCSGGLO-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 73.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.54
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[1-(2-fluorophenyl)indazol-4-yl]oxypropan-2-yl]benzenesulfonamide?

The IUPAC name of 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[1-(2-fluorophenyl)indazol-4-yl]oxypropan-2-yl]benzenesulfonamide (CID 16666388) is 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[1-(2-fluorophenyl)indazol-4-yl]oxypropan-2-yl]benzenesulfonamide.

What is the SMILES notation for 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[1-(2-fluorophenyl)indazol-4-yl]oxypropan-2-yl]benzenesulfonamide?

The canonical SMILES for 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[1-(2-fluorophenyl)indazol-4-yl]oxypropan-2-yl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NC(COc2cccc3c2cnn3-c2ccccc2F)C(F)(F)F)c(C)c1.

What is the InChIKey of 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[1-(2-fluorophenyl)indazol-4-yl]oxypropan-2-yl]benzenesulfonamide?

The InChIKey is LODUISQTCSGGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F4N3O3S/c1-15-11-16(2)24(17(3)12-15)36(33,34)31-23(25(27,28)29)14-35-22-10-6-9-20-18(22)13-30-32(20)21-8-5-4-7-19(21)26/h4-13,23,31H,14H2,1-3H3.

What are the key properties of 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[1-(2-fluorophenyl)indazol-4-yl]oxypropan-2-yl]benzenesulfonamide?

2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[1-(2-fluorophenyl)indazol-4-yl]oxypropan-2-yl]benzenesulfonamide has a molecular weight of 521.54 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[1-(2-fluorophenyl)indazol-4-yl]oxypropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 16666388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).