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

C27H27F3N2O3S — CID 11684972

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

2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-phenylmethoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide (PubChem CID 11684972) has the molecular formula C27H27F3N2O3S and a molecular weight of 516.59 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-phenylmethoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-phenylmethoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide
• PubChem CID: 11684972
• Molecular Formula: C27H27F3N2O3S
• Molecular Weight: 516.59 g/mol
• Exact Mass: 516.17
• IUPAC Name: 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-phenylmethoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide
• SMILES: Cc1cc(C)c(S(=O)(=O)NC(Cc2c[nH]c3cccc(OCc4ccccc4)c23)C(F)(F)F)c(C)c1
• InChI: InChI=1S/C27H27F3N2O3S/c1-17-12-18(2)26(19(3)13-17)36(33,34)32-24(27(28,29)30)14-21-15-31-22-10-7-11-23(25(21)22)35-16-20-8-5-4-6-9-20/h4-13,15,24,31-32H,14,16H2,1-3H3
• InChIKey: AXSQJJHGQFFFKQ-UHFFFAOYSA-N
• XLogP: 6.12
• TPSA: 71.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.59
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-phenylmethoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide (CID 11684972) is 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-phenylmethoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide.

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

The canonical SMILES for 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-phenylmethoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NC(Cc2c[nH]c3cccc(OCc4ccccc4)c23)C(F)(F)F)c(C)c1.

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

The InChIKey is AXSQJJHGQFFFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N2O3S/c1-17-12-18(2)26(19(3)13-17)36(33,34)32-24(27(28,29)30)14-21-15-31-22-10-7-11-23(25(21)22)35-16-20-8-5-4-6-9-20/h4-13,15,24,31-32H,14,16H2,1-3H3.

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

2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-phenylmethoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide has a molecular weight of 516.59 g/mol, XLogP of 6.12, 8 rotatable bonds, 2 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-(4-phenylmethoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 11684972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).