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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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).