1-(2-methylsulfonyl-2-phenylethyl)-4-(trifluoromethyl)benzene

C16H15F3O2S — CID 173278005

IUPAC1-(2-methylsulfonyl-2-phenylethyl)-4-(trifluoromethyl)benzene
SMILESCS(=O)(=O)C(Cc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C16H15F3O2S/c1-22(20,21)15(13-5-3-2-4-6-13)11-12-7-9-14(10-8-12)16(17,18)19/h2-10,15H,11H2,1H3
InChIKeyBCKVLEAVDFZGPT-UHFFFAOYSA-N
MW328.36 g/mol
LogP4.03
Rot. Bonds4

About 1-(2-methylsulfonyl-2-phenylethyl)-4-(trifluoromethyl)benzene

1-(2-methylsulfonyl-2-phenylethyl)-4-(trifluoromethyl)benzene (PubChem CID 173278005) has the molecular formula C16H15F3O2S and a molecular weight of 328.36 g/mol. Its IUPAC name is 1-(2-methylsulfonyl-2-phenylethyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(2-methylsulfonyl-2-phenylethyl)-4-(trifluoromethyl)benzene
PubChem CID173278005
Molecular FormulaC16H15F3O2S
Molecular Weight328.36 g/mol
Exact Mass328.07
IUPAC Name1-(2-methylsulfonyl-2-phenylethyl)-4-(trifluoromethyl)benzene
SMILESCS(=O)(=O)C(Cc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C16H15F3O2S/c1-22(20,21)15(13-5-3-2-4-6-13)11-12-7-9-14(10-8-12)16(17,18)19/h2-10,15H,11H2,1H3
InChIKeyBCKVLEAVDFZGPT-UHFFFAOYSA-N
XLogP4.03
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 104845048
(1S)-1,2-diphenylethanesulfonamide
CID 15655609
methyl-[3-phenyl-4-[4-(trifluoromethyl)phenyl]butyl]azanium chloride
CID 67944421
1-(1-benzylsulfonylpropan-2-yl)-4-(trifluoromethyl)benzene
CID 135065934
1-[2-(benzenesulfonyl)-2-phenylethyl]-4-methylbenzene
CID 11313696
N-(2-amino-2-phenylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119527909
5-phenyl-5-[4-(trifluoromethyl)phenyl]sulfonylpentan-1-amine
CID 118519663
5-methylsulfonyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 115820554
N-methyl-4-methylsulfonyl-1-[4-(trifluoromethyl)phenyl]butan-2-amine
CID 115848283
[1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
CID 105195282
2-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 79422480
2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 102432449

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonyl-2-phenylethyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(2-methylsulfonyl-2-phenylethyl)-4-(trifluoromethyl)benzene (CID 173278005) is 1-(2-methylsulfonyl-2-phenylethyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(2-methylsulfonyl-2-phenylethyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(2-methylsulfonyl-2-phenylethyl)-4-(trifluoromethyl)benzene is CS(=O)(=O)C(Cc1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of 1-(2-methylsulfonyl-2-phenylethyl)-4-(trifluoromethyl)benzene?
The InChIKey is BCKVLEAVDFZGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3O2S/c1-22(20,21)15(13-5-3-2-4-6-13)11-12-7-9-14(10-8-12)16(17,18)19/h2-10,15H,11H2,1H3.
What are the key properties of 1-(2-methylsulfonyl-2-phenylethyl)-4-(trifluoromethyl)benzene?
1-(2-methylsulfonyl-2-phenylethyl)-4-(trifluoromethyl)benzene has a molecular weight of 328.36 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonyl-2-phenylethyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 173278005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).