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

C21H23F3N2O3S — CID 11669350

IUPAC2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(6-methoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide
SMILESCOc1ccc2c(CC(NS(=O)(=O)c3c(C)cc(C)cc3C)C(F)(F)F)c[nH]c2c1
InChIInChI=1S/C21H23F3N2O3S/c1-12-7-13(2)20(14(3)8-12)30(27,28)26-19(21(22,23)24)9-15-11-25-18-10-16(29-4)5-6-17(15)18/h5-8,10-11,19,25-26H,9H2,1-4H3
InChIKeyJIOPQGCQQPXUIJ-UHFFFAOYSA-N
MW440.49 g/mol
LogP4.55
Rot. Bonds6

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

2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(6-methoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide (PubChem CID 11669350) has the molecular formula C21H23F3N2O3S and a molecular weight of 440.49 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(6-methoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(6-methoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide
PubChem CID11669350
Molecular FormulaC21H23F3N2O3S
Molecular Weight440.49 g/mol
Exact Mass440.14
IUPAC Name2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(6-methoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide
SMILESCOc1ccc2c(CC(NS(=O)(=O)c3c(C)cc(C)cc3C)C(F)(F)F)c[nH]c2c1
InChIInChI=1S/C21H23F3N2O3S/c1-12-7-13(2)20(14(3)8-12)30(27,28)26-19(21(22,23)24)9-15-11-25-18-10-16(29-4)5-6-17(15)18/h5-8,10-11,19,25-26H,9H2,1-4H3
InChIKeyJIOPQGCQQPXUIJ-UHFFFAOYSA-N
XLogP4.55
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 54.55
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-(6-methoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(6-methoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide (CID 11669350) is 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(6-methoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(6-methoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(6-methoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide is COc1ccc2c(CC(NS(=O)(=O)c3c(C)cc(C)cc3C)C(F)(F)F)c[nH]c2c1.
What is the InChIKey of 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(6-methoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide?
The InChIKey is JIOPQGCQQPXUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O3S/c1-12-7-13(2)20(14(3)8-12)30(27,28)26-19(21(22,23)24)9-15-11-25-18-10-16(29-4)5-6-17(15)18/h5-8,10-11,19,25-26H,9H2,1-4H3.
What are the key properties of 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(6-methoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide?
2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(6-methoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide has a molecular weight of 440.49 g/mol, XLogP of 4.55, 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-(6-methoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 11669350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).