2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[3-(trifluoromethoxy)phenoxy]propan-2-yl]benzenesulfonamide

C19H19F6NO4S — CID 25168087

IUPAC2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[3-(trifluoromethoxy)phenoxy]propan-2-yl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC(COc2cccc(OC(F)(F)F)c2)C(F)(F)F)c(C)c1
InChIInChI=1S/C19H19F6NO4S/c1-11-7-12(2)17(13(3)8-11)31(27,28)26-16(18(20,21)22)10-29-14-5-4-6-15(9-14)30-19(23,24)25/h4-9,16,26H,10H2,1-3H3
InChIKeyRZZQJKAPBZWVNB-UHFFFAOYSA-N
MW471.42 g/mol
LogP4.80
Rot. Bonds7

About 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[3-(trifluoromethoxy)phenoxy]propan-2-yl]benzenesulfonamide

2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[3-(trifluoromethoxy)phenoxy]propan-2-yl]benzenesulfonamide (PubChem CID 25168087) has the molecular formula C19H19F6NO4S and a molecular weight of 471.42 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[3-(trifluoromethoxy)phenoxy]propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[3-(trifluoromethoxy)phenoxy]propan-2-yl]benzenesulfonamide
PubChem CID25168087
Molecular FormulaC19H19F6NO4S
Molecular Weight471.42 g/mol
Exact Mass471.09
IUPAC Name2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[3-(trifluoromethoxy)phenoxy]propan-2-yl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC(COc2cccc(OC(F)(F)F)c2)C(F)(F)F)c(C)c1
InChIInChI=1S/C19H19F6NO4S/c1-11-7-12(2)17(13(3)8-11)31(27,28)26-16(18(20,21)22)10-29-14-5-4-6-15(9-14)30-19(23,24)25/h4-9,16,26H,10H2,1-3H3
InChIKeyRZZQJKAPBZWVNB-UHFFFAOYSA-N
XLogP4.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.42
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-bromo-3-methylphenoxy)-1,1,1-trifluoropropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 25167951
N-[3-(4-bromophenoxy)-1,1,1-trifluoropropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 25169426
2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(2,3,6-trifluorophenoxy)propan-2-yl]benzenesulfonamide
CID 25167684
N-[3-(4-chloro-2-cyanophenoxy)-1,1,1-trifluoropropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 25167956
2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-phenylanilino)propan-2-yl]benzenesulfonamide
CID 59203613
2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(2-propan-2-ylanilino)propan-2-yl]benzenesulfonamide
CID 68555479
1-methyl-3-(trifluoromethoxy)benzene;sulfuryl dichloride
CID 161048134
methyl 1-[3,3,3-trifluoro-2-[(2,4,6-trimethylphenyl)sulfonylamino]propyl]indole-3-carboxylate
CID 57473954
N-[2-(3-ethylphenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 113100044
[3-(trifluoromethoxy)phenyl] methanesulfonate
CID 18424473
N-(1-hydroxypentan-3-yl)-3-(trifluoromethoxy)benzenesulfonamide
CID 115755279
N-ethyl-3-(trifluoromethoxy)benzenesulfonamide
CID 43243258

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[3-(trifluoromethoxy)phenoxy]propan-2-yl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[3-(trifluoromethoxy)phenoxy]propan-2-yl]benzenesulfonamide (CID 25168087) is 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[3-(trifluoromethoxy)phenoxy]propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[3-(trifluoromethoxy)phenoxy]propan-2-yl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[3-(trifluoromethoxy)phenoxy]propan-2-yl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NC(COc2cccc(OC(F)(F)F)c2)C(F)(F)F)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[3-(trifluoromethoxy)phenoxy]propan-2-yl]benzenesulfonamide?
The InChIKey is RZZQJKAPBZWVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F6NO4S/c1-11-7-12(2)17(13(3)8-11)31(27,28)26-16(18(20,21)22)10-29-14-5-4-6-15(9-14)30-19(23,24)25/h4-9,16,26H,10H2,1-3H3.
What are the key properties of 2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[3-(trifluoromethoxy)phenoxy]propan-2-yl]benzenesulfonamide?
2,4,6-trimethyl-N-[1,1,1-trifluoro-3-[3-(trifluoromethoxy)phenoxy]propan-2-yl]benzenesulfonamide has a molecular weight of 471.42 g/mol, XLogP of 4.80, 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-[3-(trifluoromethoxy)phenoxy]propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 25168087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).