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

C13H15F3O3S — CID 141282860

IUPAC1-(3-methoxycyclopentyl)sulfonyl-2-(trifluoromethyl)benzene
SMILESCOC1CCC(S(=O)(=O)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C13H15F3O3S/c1-19-9-6-7-10(8-9)20(17,18)12-5-3-2-4-11(12)13(14,15)16/h2-5,9-10H,6-8H2,1H3
InChIKeyDLQNLLMXNMQRLE-UHFFFAOYSA-N
MW308.32 g/mol
LogP3.05
Rot. Bonds3

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

1-(3-methoxycyclopentyl)sulfonyl-2-(trifluoromethyl)benzene (PubChem CID 141282860) has the molecular formula C13H15F3O3S and a molecular weight of 308.32 g/mol. Its IUPAC name is 1-(3-methoxycyclopentyl)sulfonyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(3-methoxycyclopentyl)sulfonyl-2-(trifluoromethyl)benzene
PubChem CID141282860
Molecular FormulaC13H15F3O3S
Molecular Weight308.32 g/mol
Exact Mass308.07
IUPAC Name1-(3-methoxycyclopentyl)sulfonyl-2-(trifluoromethyl)benzene
SMILESCOC1CCC(S(=O)(=O)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C13H15F3O3S/c1-19-9-6-7-10(8-9)20(17,18)12-5-3-2-4-11(12)13(14,15)16/h2-5,9-10H,6-8H2,1H3
InChIKeyDLQNLLMXNMQRLE-UHFFFAOYSA-N
XLogP3.05
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Ethylphenyl)sulfonyloxirane
CID 71659902
1-Methyl-2-(2-propan-2-yloxyethylsulfonyl)benzene
CID 71981822
(2R)-2-(2,2-difluoroethyl)-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxirane
CID 134928053
(2R)-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-2-(2,2,2-trifluoroethyl)oxirane
CID 134928163
(2R)-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-2-(2,2,3,3,3-pentafluoropropyl)oxirane
CID 134929025
[2-[[(1S)-1-methoxypropyl]sulfanylmethyl]phenyl]-propan-2-yl-(trifluoromethylsulfonyloxy)sulfanium
CID 135033587
(2S,3R)-3-(4-methylphenyl)sulfonyl-2-(trifluoromethylselanyl)oxane
CID 139188981
1-(2-Propan-2-yloxyethylsulfonyl)-3-(trifluoromethyl)benzene
CID 71865106
Propan-2-yl 2-methylsulfanyl-6-(trifluoromethyl)benzenesulfonate
CID 22910421
1-Propan-2-ylsulfonyl-2-(trifluoromethyl)benzene
CID 22953626
1-(Difluoromethyl)-2-propan-2-ylsulfonylbenzene
CID 23588824
3-[2-(Trifluoromethyl)phenyl]sulfonylbutan-2-one
CID 57184391

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxycyclopentyl)sulfonyl-2-(trifluoromethyl)benzene?
The IUPAC name of 1-(3-methoxycyclopentyl)sulfonyl-2-(trifluoromethyl)benzene (CID 141282860) is 1-(3-methoxycyclopentyl)sulfonyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(3-methoxycyclopentyl)sulfonyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-(3-methoxycyclopentyl)sulfonyl-2-(trifluoromethyl)benzene is COC1CCC(S(=O)(=O)c2ccccc2C(F)(F)F)C1.
What is the InChIKey of 1-(3-methoxycyclopentyl)sulfonyl-2-(trifluoromethyl)benzene?
The InChIKey is DLQNLLMXNMQRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O3S/c1-19-9-6-7-10(8-9)20(17,18)12-5-3-2-4-11(12)13(14,15)16/h2-5,9-10H,6-8H2,1H3.
What are the key properties of 1-(3-methoxycyclopentyl)sulfonyl-2-(trifluoromethyl)benzene?
1-(3-methoxycyclopentyl)sulfonyl-2-(trifluoromethyl)benzene has a molecular weight of 308.32 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxycyclopentyl)sulfonyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 141282860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).