1-[[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentan-1-ol

C19H20F3NO4S — CID 15887862

IUPAC1-[[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentan-1-ol
SMILESCS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cnc2OCC2(O)CCCC2)cc1
InChIInChI=1S/C19H20F3NO4S/c1-28(25,26)15-6-4-13(5-7-15)16-10-14(19(20,21)22)11-23-17(16)27-12-18(24)8-2-3-9-18/h4-7,10-11,24H,2-3,8-9,12H2,1H3
InChIKeyBQJIFVOOSUPULW-UHFFFAOYSA-N
MW415.43 g/mol
LogP3.85
Rot. Bonds5

About 1-[[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentan-1-ol

1-[[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentan-1-ol (PubChem CID 15887862) has the molecular formula C19H20F3NO4S and a molecular weight of 415.43 g/mol. Its IUPAC name is 1-[[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentan-1-ol
PubChem CID15887862
Molecular FormulaC19H20F3NO4S
Molecular Weight415.43 g/mol
Exact Mass415.11
IUPAC Name1-[[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentan-1-ol
SMILESCS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cnc2OCC2(O)CCCC2)cc1
InChIInChI=1S/C19H20F3NO4S/c1-28(25,26)15-6-4-13(5-7-15)16-10-14(19(20,21)22)11-23-17(16)27-12-18(24)8-2-3-9-18/h4-7,10-11,24H,2-3,8-9,12H2,1H3
InChIKeyBQJIFVOOSUPULW-UHFFFAOYSA-N
XLogP3.85
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentan-1-ol?
The IUPAC name of 1-[[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentan-1-ol (CID 15887862) is 1-[[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentan-1-ol is CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cnc2OCC2(O)CCCC2)cc1.
What is the InChIKey of 1-[[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentan-1-ol?
The InChIKey is BQJIFVOOSUPULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO4S/c1-28(25,26)15-6-4-13(5-7-15)16-10-14(19(20,21)22)11-23-17(16)27-12-18(24)8-2-3-9-18/h4-7,10-11,24H,2-3,8-9,12H2,1H3.
What are the key properties of 1-[[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentan-1-ol?
1-[[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentan-1-ol has a molecular weight of 415.43 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentan-1-ol is sourced from PubChem (CID 15887862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).