1-[2-(4-methylsulfonylphenyl)cyclopropyl]-4-(trifluoromethyl)benzene

C17H15F3O2S — CID 91052710

IUPAC1-[2-(4-methylsulfonylphenyl)cyclopropyl]-4-(trifluoromethyl)benzene
SMILESCS(=O)(=O)c1ccc(C2CC2c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H15F3O2S/c1-23(21,22)14-8-4-12(5-9-14)16-10-15(16)11-2-6-13(7-3-11)17(18,19)20/h2-9,15-16H,10H2,1H3
InChIKeyKMOILMNZXLVRFI-UHFFFAOYSA-N
MW340.37 g/mol
LogP4.38
Rot. Bonds3

About 1-[2-(4-methylsulfonylphenyl)cyclopropyl]-4-(trifluoromethyl)benzene

1-[2-(4-methylsulfonylphenyl)cyclopropyl]-4-(trifluoromethyl)benzene (PubChem CID 91052710) has the molecular formula C17H15F3O2S and a molecular weight of 340.37 g/mol. Its IUPAC name is 1-[2-(4-methylsulfonylphenyl)cyclopropyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[2-(4-methylsulfonylphenyl)cyclopropyl]-4-(trifluoromethyl)benzene
PubChem CID91052710
Molecular FormulaC17H15F3O2S
Molecular Weight340.37 g/mol
Exact Mass340.07
IUPAC Name1-[2-(4-methylsulfonylphenyl)cyclopropyl]-4-(trifluoromethyl)benzene
SMILESCS(=O)(=O)c1ccc(C2CC2c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H15F3O2S/c1-23(21,22)14-8-4-12(5-9-14)16-10-15(16)11-2-6-13(7-3-11)17(18,19)20/h2-9,15-16H,10H2,1H3
InChIKeyKMOILMNZXLVRFI-UHFFFAOYSA-N
XLogP4.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]methanediol
CID 19935679
1-[3-fluoro-5-(4-methylsulfonylphenyl)cyclopenta-1,4-dien-1-yl]-4-(trifluoromethyl)benzene
CID 23370279
1-[(1R,2R)-2-methylcyclopropyl]-4-(trifluoromethyl)benzene
CID 11063442
1-[4-methyl-2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-4-(trifluoromethyl)benzene
CID 22917692
1-[4-fluoro-2-(4-methylsulfonylphenyl)cyclopenten-1-yl]-4-(trifluoromethyl)benzene
CID 22917511
1-(1,1-difluoroethyl)-4-methylsulfonylbenzene
CID 116841572
3-(4-methylsulfonylanilino)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 70682750
1-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone
CID 93025354
trimethyl-[4-(trifluoromethyl)phenyl]-λ4-sulfane
CID 130344307
1-[3-methyl-5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]-4-(trifluoromethyl)benzene
CID 23370383
1-[(1S,2S)-2-cyclohexylcyclopropyl]-4-methylsulfonylbenzene
CID 70255200
1-tert-butyl-4-methylsulfonylbenzene;ethane
CID 144874881

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylsulfonylphenyl)cyclopropyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[2-(4-methylsulfonylphenyl)cyclopropyl]-4-(trifluoromethyl)benzene (CID 91052710) is 1-[2-(4-methylsulfonylphenyl)cyclopropyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[2-(4-methylsulfonylphenyl)cyclopropyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[2-(4-methylsulfonylphenyl)cyclopropyl]-4-(trifluoromethyl)benzene is CS(=O)(=O)c1ccc(C2CC2c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 1-[2-(4-methylsulfonylphenyl)cyclopropyl]-4-(trifluoromethyl)benzene?
The InChIKey is KMOILMNZXLVRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O2S/c1-23(21,22)14-8-4-12(5-9-14)16-10-15(16)11-2-6-13(7-3-11)17(18,19)20/h2-9,15-16H,10H2,1H3.
What are the key properties of 1-[2-(4-methylsulfonylphenyl)cyclopropyl]-4-(trifluoromethyl)benzene?
1-[2-(4-methylsulfonylphenyl)cyclopropyl]-4-(trifluoromethyl)benzene has a molecular weight of 340.37 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylsulfonylphenyl)cyclopropyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 91052710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).