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

C22H25F3N2O3S — CID 11626637

IUPAC2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(5-methoxy-4-methyl-1H-indol-3-yl)propan-2-yl]benzenesulfonamide
SMILESCOc1ccc2[nH]cc(CC(NS(=O)(=O)c3c(C)cc(C)cc3C)C(F)(F)F)c2c1C
InChIInChI=1S/C22H25F3N2O3S/c1-12-8-13(2)21(14(3)9-12)31(28,29)27-19(22(23,24)25)10-16-11-26-17-6-7-18(30-5)15(4)20(16)17/h6-9,11,19,26-27H,10H2,1-5H3
InChIKeyUGZAZOUCZBVRAB-UHFFFAOYSA-N
MW454.51 g/mol
LogP4.86
Rot. Bonds6

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

2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(5-methoxy-4-methyl-1H-indol-3-yl)propan-2-yl]benzenesulfonamide (PubChem CID 11626637) has the molecular formula C22H25F3N2O3S and a molecular weight of 454.51 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(5-methoxy-4-methyl-1H-indol-3-yl)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(5-methoxy-4-methyl-1H-indol-3-yl)propan-2-yl]benzenesulfonamide
PubChem CID11626637
Molecular FormulaC22H25F3N2O3S
Molecular Weight454.51 g/mol
Exact Mass454.15
IUPAC Name2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(5-methoxy-4-methyl-1H-indol-3-yl)propan-2-yl]benzenesulfonamide
SMILESCOc1ccc2[nH]cc(CC(NS(=O)(=O)c3c(C)cc(C)cc3C)C(F)(F)F)c2c1C
InChIInChI=1S/C22H25F3N2O3S/c1-12-8-13(2)21(14(3)9-12)31(28,29)27-19(22(23,24)25)10-16-11-26-17-6-7-18(30-5)15(4)20(16)17/h6-9,11,19,26-27H,10H2,1-5H3
InChIKeyUGZAZOUCZBVRAB-UHFFFAOYSA-N
XLogP4.86
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(5-methoxy-4-methyl-1H-indol-3-yl)propan-2-yl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(5-methoxy-4-methyl-1H-indol-3-yl)propan-2-yl]benzenesulfonamide (CID 11626637) is 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(5-methoxy-4-methyl-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-methoxy-4-methyl-1H-indol-3-yl)propan-2-yl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(5-methoxy-4-methyl-1H-indol-3-yl)propan-2-yl]benzenesulfonamide is COc1ccc2[nH]cc(CC(NS(=O)(=O)c3c(C)cc(C)cc3C)C(F)(F)F)c2c1C.
What is the InChIKey of 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(5-methoxy-4-methyl-1H-indol-3-yl)propan-2-yl]benzenesulfonamide?
The InChIKey is UGZAZOUCZBVRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O3S/c1-12-8-13(2)21(14(3)9-12)31(28,29)27-19(22(23,24)25)10-16-11-26-17-6-7-18(30-5)15(4)20(16)17/h6-9,11,19,26-27H,10H2,1-5H3.
What are the key properties of 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(5-methoxy-4-methyl-1H-indol-3-yl)propan-2-yl]benzenesulfonamide?
2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(5-methoxy-4-methyl-1H-indol-3-yl)propan-2-yl]benzenesulfonamide has a molecular weight of 454.51 g/mol, XLogP of 4.86, 6 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-(5-methoxy-4-methyl-1H-indol-3-yl)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 11626637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).