1-methyl-4-[1-[4-(trifluoromethoxy)phenyl]ethylsulfonyl]benzene

C16H15F3O3S — CID 122600808

IUPAC1-methyl-4-[1-[4-(trifluoromethoxy)phenyl]ethylsulfonyl]benzene
SMILESCc1ccc(S(=O)(=O)C(C)c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C16H15F3O3S/c1-11-3-9-15(10-4-11)23(20,21)12(2)13-5-7-14(8-6-13)22-16(17,18)19/h3-10,12H,1-2H3
InChIKeyVIMPQBSPZMOFOV-UHFFFAOYSA-N
MW344.35 g/mol
LogP4.43
Rot. Bonds4

About 1-methyl-4-[1-[4-(trifluoromethoxy)phenyl]ethylsulfonyl]benzene

1-methyl-4-[1-[4-(trifluoromethoxy)phenyl]ethylsulfonyl]benzene (PubChem CID 122600808) has the molecular formula C16H15F3O3S and a molecular weight of 344.35 g/mol. Its IUPAC name is 1-methyl-4-[1-[4-(trifluoromethoxy)phenyl]ethylsulfonyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[1-[4-(trifluoromethoxy)phenyl]ethylsulfonyl]benzene
PubChem CID122600808
Molecular FormulaC16H15F3O3S
Molecular Weight344.35 g/mol
Exact Mass344.07
IUPAC Name1-methyl-4-[1-[4-(trifluoromethoxy)phenyl]ethylsulfonyl]benzene
SMILESCc1ccc(S(=O)(=O)C(C)c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C16H15F3O3S/c1-11-3-9-15(10-4-11)23(20,21)12(2)13-5-7-14(8-6-13)22-16(17,18)19/h3-10,12H,1-2H3
InChIKeyVIMPQBSPZMOFOV-UHFFFAOYSA-N
XLogP4.43
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[isocyano-[4-(trifluoromethoxy)phenyl]methyl]sulfonyl-4-methylbenzene
CID 140743576
1-oxido-2-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]sulfonylpyridin-1-ium
CID 95046887
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
1-[1-(4-methylsulfonylphenoxy)ethyl]-4-(trifluoromethoxy)benzene
CID 47502526
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815
2-methyl-1-[1-[4-(trifluoromethoxy)phenyl]ethylsulfonyl]propan-2-ol
CID 111435438
N-[1-(4-methylphenyl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55577678
1-fluoro-4-[(1S)-1-(4-fluorophenyl)sulfonylethyl]benzene
CID 139197599
ethyl 3-(4-methylphenyl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoate
CID 164862354
ethyl (3S)-3-(4-methylphenyl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoate
CID 164861943
2-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 66912789
ethane;1-fluoro-4-methylbenzene;1-methyl-4-(trifluoromethoxy)benzene
CID 144678762

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-[4-(trifluoromethoxy)phenyl]ethylsulfonyl]benzene?
The IUPAC name of 1-methyl-4-[1-[4-(trifluoromethoxy)phenyl]ethylsulfonyl]benzene (CID 122600808) is 1-methyl-4-[1-[4-(trifluoromethoxy)phenyl]ethylsulfonyl]benzene.
What is the SMILES notation for 1-methyl-4-[1-[4-(trifluoromethoxy)phenyl]ethylsulfonyl]benzene?
The canonical SMILES for 1-methyl-4-[1-[4-(trifluoromethoxy)phenyl]ethylsulfonyl]benzene is Cc1ccc(S(=O)(=O)C(C)c2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 1-methyl-4-[1-[4-(trifluoromethoxy)phenyl]ethylsulfonyl]benzene?
The InChIKey is VIMPQBSPZMOFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3O3S/c1-11-3-9-15(10-4-11)23(20,21)12(2)13-5-7-14(8-6-13)22-16(17,18)19/h3-10,12H,1-2H3.
What are the key properties of 1-methyl-4-[1-[4-(trifluoromethoxy)phenyl]ethylsulfonyl]benzene?
1-methyl-4-[1-[4-(trifluoromethoxy)phenyl]ethylsulfonyl]benzene has a molecular weight of 344.35 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-[4-(trifluoromethoxy)phenyl]ethylsulfonyl]benzene is sourced from PubChem (CID 122600808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).