2,4,6-trimethyl-N-(1,1,1-trifluoro-3-phenoxypropan-2-yl)benzenesulfonamide

C18H20F3NO3S — CID 25168896

IUPAC2,4,6-trimethyl-N-(1,1,1-trifluoro-3-phenoxypropan-2-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC(COc2ccccc2)C(F)(F)F)c(C)c1
InChIInChI=1S/C18H20F3NO3S/c1-12-9-13(2)17(14(3)10-12)26(23,24)22-16(18(19,20)21)11-25-15-7-5-4-6-8-15/h4-10,16,22H,11H2,1-3H3
InChIKeyIFNZOVIDIOXFMG-UHFFFAOYSA-N
MW387.42 g/mol
LogP3.90
Rot. Bonds6

About 2,4,6-trimethyl-N-(1,1,1-trifluoro-3-phenoxypropan-2-yl)benzenesulfonamide

2,4,6-trimethyl-N-(1,1,1-trifluoro-3-phenoxypropan-2-yl)benzenesulfonamide (PubChem CID 25168896) has the molecular formula C18H20F3NO3S and a molecular weight of 387.42 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(1,1,1-trifluoro-3-phenoxypropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(1,1,1-trifluoro-3-phenoxypropan-2-yl)benzenesulfonamide
PubChem CID25168896
Molecular FormulaC18H20F3NO3S
Molecular Weight387.42 g/mol
Exact Mass387.11
IUPAC Name2,4,6-trimethyl-N-(1,1,1-trifluoro-3-phenoxypropan-2-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC(COc2ccccc2)C(F)(F)F)c(C)c1
InChIInChI=1S/C18H20F3NO3S/c1-12-9-13(2)17(14(3)10-12)26(23,24)22-16(18(19,20)21)11-25-15-7-5-4-6-8-15/h4-10,16,22H,11H2,1-3H3
InChIKeyIFNZOVIDIOXFMG-UHFFFAOYSA-N
XLogP3.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-(2,6-dimethylphenoxy)propan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 90656557
N-[(3S)-3-amino-4-(4-cyano-3-fluorophenoxy)butyl]-2-methylbenzenesulfonamide
CID 162645766
N-[(3S)-3-amino-4-(4-cyano-3-fluorophenoxy)butyl]-4-cyano-2-(trifluoromethyl)benzenesulfonamide
CID 162651429
N-[(3S)-3-amino-4-(4-cyano-3-fluorophenoxy)butyl]-4-(trifluoromethyl)benzenesulfonamide
CID 162669921
N-[(3S)-3-amino-4-(4-cyano-3-fluorophenoxy)butyl]-2-(trifluoromethyl)benzenesulfonamide
CID 162673599
N-[2-(2,5-dimethylphenoxy)ethyl]-4-methylbenzenesulfonamide
CID 2194885
N-(2,4-dimethylphenyl)sulfonyl-2-(2-methylphenoxy)acetamide
CID 2147250
N-[2-(3,5-dimethylphenoxy)cyclohexyl]benzenesulfonamide
CID 2912244
2,4,6-trimethyl-N-(2-phenoxyethyl)benzenesulfonamide
CID 8401563
2-[4-(2,4,6-Trimethyl-Benzenesulfonyl)-Phenoxy]-Ethylamine
CID 71562076
4-ethyl-N-(2-(4-fluorophenoxy)ethyl)benzenesulfonamide
CID 2229969
N-[2-(2-methoxyphenoxy)ethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 2440705

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-(1,1,1-trifluoro-3-phenoxypropan-2-yl)benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-(1,1,1-trifluoro-3-phenoxypropan-2-yl)benzenesulfonamide (CID 25168896) is 2,4,6-trimethyl-N-(1,1,1-trifluoro-3-phenoxypropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-(1,1,1-trifluoro-3-phenoxypropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-(1,1,1-trifluoro-3-phenoxypropan-2-yl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NC(COc2ccccc2)C(F)(F)F)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-(1,1,1-trifluoro-3-phenoxypropan-2-yl)benzenesulfonamide?
The InChIKey is IFNZOVIDIOXFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NO3S/c1-12-9-13(2)17(14(3)10-12)26(23,24)22-16(18(19,20)21)11-25-15-7-5-4-6-8-15/h4-10,16,22H,11H2,1-3H3.
What are the key properties of 2,4,6-trimethyl-N-(1,1,1-trifluoro-3-phenoxypropan-2-yl)benzenesulfonamide?
2,4,6-trimethyl-N-(1,1,1-trifluoro-3-phenoxypropan-2-yl)benzenesulfonamide has a molecular weight of 387.42 g/mol, XLogP of 3.90, 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-phenoxypropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 25168896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).