2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-2-yl]benzenesulfonamide

C22H26F3NO3S — CID 59203599

IUPAC2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-2-yl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC(COc2cccc3c2CCCC3)C(F)(F)F)c(C)c1
InChIInChI=1S/C22H26F3NO3S/c1-14-11-15(2)21(16(3)12-14)30(27,28)26-20(22(23,24)25)13-29-19-10-6-8-17-7-4-5-9-18(17)19/h6,8,10-12,20,26H,4-5,7,9,13H2,1-3H3
InChIKeyKGSQZRSOTDEQFU-UHFFFAOYSA-N
MW441.52 g/mol
LogP4.78
Rot. Bonds6

About 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-2-yl]benzenesulfonamide

2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-2-yl]benzenesulfonamide (PubChem CID 59203599) has the molecular formula C22H26F3NO3S and a molecular weight of 441.52 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-2-yl]benzenesulfonamide
PubChem CID59203599
Molecular FormulaC22H26F3NO3S
Molecular Weight441.52 g/mol
Exact Mass441.16
IUPAC Name2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-2-yl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC(COc2cccc3c2CCCC3)C(F)(F)F)c(C)c1
InChIInChI=1S/C22H26F3NO3S/c1-14-11-15(2)21(16(3)12-14)30(27,28)26-20(22(23,24)25)13-29-19-10-6-8-17-7-4-5-9-18(17)19/h6,8,10-12,20,26H,4-5,7,9,13H2,1-3H3
InChIKeyKGSQZRSOTDEQFU-UHFFFAOYSA-N
XLogP4.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 54.78
H-Bond Donors ≤ 51
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-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-2-yl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-2-yl]benzenesulfonamide (CID 59203599) is 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-2-yl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-2-yl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NC(COc2cccc3c2CCCC3)C(F)(F)F)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-2-yl]benzenesulfonamide?
The InChIKey is KGSQZRSOTDEQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3NO3S/c1-14-11-15(2)21(16(3)12-14)30(27,28)26-20(22(23,24)25)13-29-19-10-6-8-17-7-4-5-9-18(17)19/h6,8,10-12,20,26H,4-5,7,9,13H2,1-3H3.
What are the key properties of 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-2-yl]benzenesulfonamide?
2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-2-yl]benzenesulfonamide has a molecular weight of 441.52 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 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-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 59203599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).