2-[(2S)-2-[4-(trifluoromethyl)phenyl]butyl]sulfonylpyridine

C16H16F3NO2S — CID 102171414

IUPAC2-[(2S)-2-[4-(trifluoromethyl)phenyl]butyl]sulfonylpyridine
SMILESCC[C@H](CS(=O)(=O)c1ccccn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO2S/c1-2-12(11-23(21,22)15-5-3-4-10-20-15)13-6-8-14(9-7-13)16(17,18)19/h3-10,12H,2,11H2,1H3/t12-/m1/s1
InChIKeyCZZXMKGQQOXVKM-GFCCVEGCSA-N
MW343.37 g/mol
LogP4.07
Rot. Bonds5

About 2-[(2S)-2-[4-(trifluoromethyl)phenyl]butyl]sulfonylpyridine

2-[(2S)-2-[4-(trifluoromethyl)phenyl]butyl]sulfonylpyridine (PubChem CID 102171414) has the molecular formula C16H16F3NO2S and a molecular weight of 343.37 g/mol. Its IUPAC name is 2-[(2S)-2-[4-(trifluoromethyl)phenyl]butyl]sulfonylpyridine.

Molecular Properties

Compound Name2-[(2S)-2-[4-(trifluoromethyl)phenyl]butyl]sulfonylpyridine
PubChem CID102171414
Molecular FormulaC16H16F3NO2S
Molecular Weight343.37 g/mol
Exact Mass343.09
IUPAC Name2-[(2S)-2-[4-(trifluoromethyl)phenyl]butyl]sulfonylpyridine
SMILESCC[C@H](CS(=O)(=O)c1ccccn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO2S/c1-2-12(11-23(21,22)15-5-3-4-10-20-15)13-6-8-14(9-7-13)16(17,18)19/h3-10,12H,2,11H2,1H3/t12-/m1/s1
InChIKeyCZZXMKGQQOXVKM-GFCCVEGCSA-N
XLogP4.07
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-2-phenylbutyl]sulfonylpyridine
CID 24898450
2-[2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]sulfonylpyridine
CID 162539208
2-[4-(trifluoromethyl)phenyl]sulfonylpyridine
CID 134863771
2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 162046659
2-[(2R)-2-ethyl-4-methylpentyl]sulfonylpyridine
CID 102521515
ethane;pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 145107737
(S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 71164818
2-[(2R)-2-methylheptyl]sulfonylpyridine
CID 102521509
2-(pyridin-2-ylsulfonylmethylsulfonyl)pyridine
CID 139827432
2-propylsulfonylpyridine tetrafluoroborate
CID 175603723
N-ethyl-2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62790871
N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 43195718

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[4-(trifluoromethyl)phenyl]butyl]sulfonylpyridine?
The IUPAC name of 2-[(2S)-2-[4-(trifluoromethyl)phenyl]butyl]sulfonylpyridine (CID 102171414) is 2-[(2S)-2-[4-(trifluoromethyl)phenyl]butyl]sulfonylpyridine.
What is the SMILES notation for 2-[(2S)-2-[4-(trifluoromethyl)phenyl]butyl]sulfonylpyridine?
The canonical SMILES for 2-[(2S)-2-[4-(trifluoromethyl)phenyl]butyl]sulfonylpyridine is CC[C@H](CS(=O)(=O)c1ccccn1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[(2S)-2-[4-(trifluoromethyl)phenyl]butyl]sulfonylpyridine?
The InChIKey is CZZXMKGQQOXVKM-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16F3NO2S/c1-2-12(11-23(21,22)15-5-3-4-10-20-15)13-6-8-14(9-7-13)16(17,18)19/h3-10,12H,2,11H2,1H3/t12-/m1/s1.
What are the key properties of 2-[(2S)-2-[4-(trifluoromethyl)phenyl]butyl]sulfonylpyridine?
2-[(2S)-2-[4-(trifluoromethyl)phenyl]butyl]sulfonylpyridine has a molecular weight of 343.37 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[4-(trifluoromethyl)phenyl]butyl]sulfonylpyridine is sourced from PubChem (CID 102171414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).