1-(3-cyclobutyloxycyclopentyl)sulfonyl-2-(trifluoromethyl)benzene

C16H19F3O3S — CID 91115809

IUPAC1-(3-cyclobutyloxycyclopentyl)sulfonyl-2-(trifluoromethyl)benzene
SMILESO=S(=O)(c1ccccc1C(F)(F)F)C1CCC(OC2CCC2)C1
InChIInChI=1S/C16H19F3O3S/c17-16(18,19)14-6-1-2-7-15(14)23(20,21)13-9-8-12(10-13)22-11-4-3-5-11/h1-2,6-7,11-13H,3-5,8-10H2
InChIKeyBQJUMYVSWHPBLZ-UHFFFAOYSA-N
MW348.39 g/mol
LogP3.97
Rot. Bonds4

About 1-(3-cyclobutyloxycyclopentyl)sulfonyl-2-(trifluoromethyl)benzene

1-(3-cyclobutyloxycyclopentyl)sulfonyl-2-(trifluoromethyl)benzene (PubChem CID 91115809) has the molecular formula C16H19F3O3S and a molecular weight of 348.39 g/mol. Its IUPAC name is 1-(3-cyclobutyloxycyclopentyl)sulfonyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(3-cyclobutyloxycyclopentyl)sulfonyl-2-(trifluoromethyl)benzene
PubChem CID91115809
Molecular FormulaC16H19F3O3S
Molecular Weight348.39 g/mol
Exact Mass348.10
IUPAC Name1-(3-cyclobutyloxycyclopentyl)sulfonyl-2-(trifluoromethyl)benzene
SMILESO=S(=O)(c1ccccc1C(F)(F)F)C1CCC(OC2CCC2)C1
InChIInChI=1S/C16H19F3O3S/c17-16(18,19)14-6-1-2-7-15(14)23(20,21)13-9-8-12(10-13)22-11-4-3-5-11/h1-2,6-7,11-13H,3-5,8-10H2
InChIKeyBQJUMYVSWHPBLZ-UHFFFAOYSA-N
XLogP3.97
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-2-(2-propan-2-yloxyethylsulfonyl)benzene
CID 71981822
1-(2-Propan-2-yloxyethylsulfonyl)-3-(trifluoromethyl)benzene
CID 71865106
3-Propan-2-yl-2-[2-(trifluoromethyl)phenyl]sulfonyl-5,8-dioxaspiro[3.4]octane
CID 67054905
1-(3-Methoxycyclobutyl)sulfonyl-3-(trifluoromethyl)benzene
CID 67054918
1-Toluenesulfonyl-6,6-difluoro-6-(perfluoro-2-butoxyethoxy)hexane
CID 88196538
carbonic acid;1-[(1R,3R)-3-cyclobutyloxycyclopentyl]sulfonyl-2-(trifluoromethyl)benzene
CID 90107218
carbonic acid;1-[(1S,3S)-3-cyclobutyloxycyclopentyl]sulfonyl-2-(trifluoromethyl)benzene
CID 90107384
4-[3-[2-(Trifluoromethyl)phenyl]sulfonylcyclopentyl]oxythiane 1,1-dioxide
CID 90938215
1-(3-Methoxycyclopentyl)sulfonyl-4-phenyl-2-(trifluoromethyl)benzene
CID 91166032
2-Fluoro-4-propan-2-yl-1-(3-propan-2-yloxycyclopentyl)sulfonylbenzene
CID 91193741
2-Methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane
CID 118445047
1-[3-(Methoxymethyl)cyclobutyl]sulfonyl-3-(trifluoromethyl)benzene
CID 123476100

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutyloxycyclopentyl)sulfonyl-2-(trifluoromethyl)benzene?
The IUPAC name of 1-(3-cyclobutyloxycyclopentyl)sulfonyl-2-(trifluoromethyl)benzene (CID 91115809) is 1-(3-cyclobutyloxycyclopentyl)sulfonyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(3-cyclobutyloxycyclopentyl)sulfonyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-(3-cyclobutyloxycyclopentyl)sulfonyl-2-(trifluoromethyl)benzene is O=S(=O)(c1ccccc1C(F)(F)F)C1CCC(OC2CCC2)C1.
What is the InChIKey of 1-(3-cyclobutyloxycyclopentyl)sulfonyl-2-(trifluoromethyl)benzene?
The InChIKey is BQJUMYVSWHPBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3O3S/c17-16(18,19)14-6-1-2-7-15(14)23(20,21)13-9-8-12(10-13)22-11-4-3-5-11/h1-2,6-7,11-13H,3-5,8-10H2.
What are the key properties of 1-(3-cyclobutyloxycyclopentyl)sulfonyl-2-(trifluoromethyl)benzene?
1-(3-cyclobutyloxycyclopentyl)sulfonyl-2-(trifluoromethyl)benzene has a molecular weight of 348.39 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutyloxycyclopentyl)sulfonyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 91115809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).