2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(7-methoxynaphthalen-2-yl)oxypropan-2-yl]benzenesulfonamide

C23H24F3NO4S — CID 59203665

IUPAC2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(7-methoxynaphthalen-2-yl)oxypropan-2-yl]benzenesulfonamide
SMILESCOc1ccc2ccc(OCC(NS(=O)(=O)c3c(C)cc(C)cc3C)C(F)(F)F)cc2c1
InChIInChI=1S/C23H24F3NO4S/c1-14-9-15(2)22(16(3)10-14)32(28,29)27-21(23(24,25)26)13-31-20-8-6-17-5-7-19(30-4)11-18(17)12-20/h5-12,21,27H,13H2,1-4H3
InChIKeyIZEVNWFGEPOTNP-UHFFFAOYSA-N
MW467.51 g/mol
LogP5.06
Rot. Bonds7

About 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(7-methoxynaphthalen-2-yl)oxypropan-2-yl]benzenesulfonamide

2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(7-methoxynaphthalen-2-yl)oxypropan-2-yl]benzenesulfonamide (PubChem CID 59203665) has the molecular formula C23H24F3NO4S and a molecular weight of 467.51 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(7-methoxynaphthalen-2-yl)oxypropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(7-methoxynaphthalen-2-yl)oxypropan-2-yl]benzenesulfonamide
PubChem CID59203665
Molecular FormulaC23H24F3NO4S
Molecular Weight467.51 g/mol
Exact Mass467.14
IUPAC Name2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(7-methoxynaphthalen-2-yl)oxypropan-2-yl]benzenesulfonamide
SMILESCOc1ccc2ccc(OCC(NS(=O)(=O)c3c(C)cc(C)cc3C)C(F)(F)F)cc2c1
InChIInChI=1S/C23H24F3NO4S/c1-14-9-15(2)22(16(3)10-14)32(28,29)27-21(23(24,25)26)13-31-20-8-6-17-5-7-19(30-4)11-18(17)12-20/h5-12,21,27H,13H2,1-4H3
InChIKeyIZEVNWFGEPOTNP-UHFFFAOYSA-N
XLogP5.06
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.51
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(7-methoxynaphthalen-2-yl)oxypropan-2-yl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(7-methoxynaphthalen-2-yl)oxypropan-2-yl]benzenesulfonamide (CID 59203665) is 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(7-methoxynaphthalen-2-yl)oxypropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(7-methoxynaphthalen-2-yl)oxypropan-2-yl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(7-methoxynaphthalen-2-yl)oxypropan-2-yl]benzenesulfonamide is COc1ccc2ccc(OCC(NS(=O)(=O)c3c(C)cc(C)cc3C)C(F)(F)F)cc2c1.
What is the InChIKey of 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(7-methoxynaphthalen-2-yl)oxypropan-2-yl]benzenesulfonamide?
The InChIKey is IZEVNWFGEPOTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3NO4S/c1-14-9-15(2)22(16(3)10-14)32(28,29)27-21(23(24,25)26)13-31-20-8-6-17-5-7-19(30-4)11-18(17)12-20/h5-12,21,27H,13H2,1-4H3.
What are the key properties of 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(7-methoxynaphthalen-2-yl)oxypropan-2-yl]benzenesulfonamide?
2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(7-methoxynaphthalen-2-yl)oxypropan-2-yl]benzenesulfonamide has a molecular weight of 467.51 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(7-methoxynaphthalen-2-yl)oxypropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 59203665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).