Methane;methanol;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-hydroxy-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

C₄₉H₅₆F₆N₄O₇S₂ — CID 158844132

About Methane;methanol;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-hydroxy-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

Methane;methanol;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-hydroxy-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 158844132) has the molecular formula C₄₉H₅₆F₆N₄O₇S₂ and a molecular weight of 991.13 g/mol. Its IUPAC name is methane;methanol;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-hydroxy-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.

Molecular Properties

• Compound Name: Methane;methanol;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-hydroxy-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: 158844132
• Molecular Formula: C₄₉H₅₆F₆N₄O₇S₂
• Molecular Weight: 991.13 g/mol
• Exact Mass: 990.35
• IUPAC Name: methane;methanol;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-hydroxy-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
• SMILES: C.CO.Cc1cc(C)c(S(=O)(=O)NC(Cc2c[nH]c3cccc(O)c23)C(F)(F)F)c(C)c1.Cc1cc(C)c(S(=O)(=O)NC(Cc2c[nH]c3cccc(OCc4ccccc4)c23)C(F)(F)F)c(C)c1
• InChI: InChI=1S/C27H27F3N2O3S.C20H21F3N2O3S.CH4O.CH4/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;1-11-7-12(2)19(13(3)8-11)29(27,28)25-17(20(21,22)23)9-14-10-24-15-5-4-6-16(26)18(14)15;1-2;/h4-13,15,24,31-32H,14,16H2,1-3H3;4-8,10,17,24-26H,9H2,1-3H3;2H,1H3;1H4
• InChIKey: IYPNRGRHXULMQA-UHFFFAOYSA-N
• XLogP: 10.62
• TPSA: 173.61 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	991.13
LogP ≤ 5	10.62
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of Methane;methanol;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-hydroxy-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?

The IUPAC name of Methane;methanol;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-hydroxy-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 (CID 158844132) is methane;methanol;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-hydroxy-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.

What is the SMILES notation for Methane;methanol;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-hydroxy-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?

The canonical SMILES for Methane;methanol;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-hydroxy-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 is C.CO.Cc1cc(C)c(S(=O)(=O)NC(Cc2c[nH]c3cccc(O)c23)C(F)(F)F)c(C)c1.Cc1cc(C)c(S(=O)(=O)NC(Cc2c[nH]c3cccc(OCc4ccccc4)c23)C(F)(F)F)c(C)c1.

What is the InChIKey of Methane;methanol;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-hydroxy-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?

The InChIKey is IYPNRGRHXULMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N2O3S.C20H21F3N2O3S.CH4O.CH4/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;1-11-7-12(2)19(13(3)8-11)29(27,28)25-17(20(21,22)23)9-14-10-24-15-5-4-6-16(26)18(14)15;1-2;/h4-13,15,24,31-32H,14,16H2,1-3H3;4-8,10,17,24-26H,9H2,1-3H3;2H,1H3;1H4.

What are the key properties of Methane;methanol;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-hydroxy-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?

Methane;methanol;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-hydroxy-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 991.13 g/mol, XLogP of 10.62, 13 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for Methane;methanol;2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-hydroxy-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 is sourced from PubChem (CID 158844132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158844132 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.