4-[(1R)-1-(benzenesulfonyl)pentyl]-2-(trifluoromethyl)pyridine

C17H18F3NO2S — CID 162417476

IUPAC4-[(1R)-1-(benzenesulfonyl)pentyl]-2-(trifluoromethyl)pyridine
SMILESCCCC[C@H](c1ccnc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H18F3NO2S/c1-2-3-9-15(24(22,23)14-7-5-4-6-8-14)13-10-11-21-16(12-13)17(18,19)20/h4-8,10-12,15H,2-3,9H2,1H3/t15-/m1/s1
InChIKeyQDEAYTQAJSXZSW-OAHLLOKOSA-N
MW357.40 g/mol
LogP4.81
Rot. Bonds6

About 4-[(1R)-1-(benzenesulfonyl)pentyl]-2-(trifluoromethyl)pyridine

4-[(1R)-1-(benzenesulfonyl)pentyl]-2-(trifluoromethyl)pyridine (PubChem CID 162417476) has the molecular formula C17H18F3NO2S and a molecular weight of 357.40 g/mol. Its IUPAC name is 4-[(1R)-1-(benzenesulfonyl)pentyl]-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-[(1R)-1-(benzenesulfonyl)pentyl]-2-(trifluoromethyl)pyridine
PubChem CID162417476
Molecular FormulaC17H18F3NO2S
Molecular Weight357.40 g/mol
Exact Mass357.10
IUPAC Name4-[(1R)-1-(benzenesulfonyl)pentyl]-2-(trifluoromethyl)pyridine
SMILESCCCC[C@H](c1ccnc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H18F3NO2S/c1-2-3-9-15(24(22,23)14-7-5-4-6-8-14)13-10-11-21-16(12-13)17(18,19)20/h4-8,10-12,15H,2-3,9H2,1H3/t15-/m1/s1
InChIKeyQDEAYTQAJSXZSW-OAHLLOKOSA-N
XLogP4.81
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Sulfoxaflor
CID 16723172
Pyridine, 4-[2-[(4-methylphenyl)sulfonyl]ethyl]-
CID 571666
(E)-2-(2,4-difluorostyryl)-5-(phenylsulfinyl)pyridine
CID 21099470
2-[(E)-2-(2,4-difluorophenyl)vinyl]-5-(phenylsulfonyl)pyridine
CID 21099472
Methyl sulfoxaflor
CID 76313006
Pyridinium, 1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-, 4-methylbenzenesulfonate (1:1)
CID 112728
4-Benzylsulfanylpyridine-3-sulfonamide
CID 901953
(E)-2-(4-fluorostyryl)-5-(phenylsulfonyl)pyridine
CID 44439376
(E)-2-(4-fluorostyryl)-5-(phenylsulfinyl)pyridine
CID 44439386
2-(4-(Methylsulfonyl)phenyl)pyridine
CID 46937403
3-[2-(4-Tert-butylphenyl)sulfanylethyl]pyridine
CID 912284
3-Chloro-2-[(phenylsulfonyl)methyl]-5-(trifluoromethyl)pyridine
CID 1475890

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-(benzenesulfonyl)pentyl]-2-(trifluoromethyl)pyridine?
The IUPAC name of 4-[(1R)-1-(benzenesulfonyl)pentyl]-2-(trifluoromethyl)pyridine (CID 162417476) is 4-[(1R)-1-(benzenesulfonyl)pentyl]-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-[(1R)-1-(benzenesulfonyl)pentyl]-2-(trifluoromethyl)pyridine?
The canonical SMILES for 4-[(1R)-1-(benzenesulfonyl)pentyl]-2-(trifluoromethyl)pyridine is CCCC[C@H](c1ccnc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-[(1R)-1-(benzenesulfonyl)pentyl]-2-(trifluoromethyl)pyridine?
The InChIKey is QDEAYTQAJSXZSW-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18F3NO2S/c1-2-3-9-15(24(22,23)14-7-5-4-6-8-14)13-10-11-21-16(12-13)17(18,19)20/h4-8,10-12,15H,2-3,9H2,1H3/t15-/m1/s1.
What are the key properties of 4-[(1R)-1-(benzenesulfonyl)pentyl]-2-(trifluoromethyl)pyridine?
4-[(1R)-1-(benzenesulfonyl)pentyl]-2-(trifluoromethyl)pyridine has a molecular weight of 357.40 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-(benzenesulfonyl)pentyl]-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 162417476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).