N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethylsulfanyl)benzamide

C14H16F3NO2S — CID 104957142

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethylsulfanyl)benzamide
SMILESO=C(N[C@H]1CCCC[C@@H]1O)c1ccccc1SC(F)(F)F
InChIInChI=1S/C14H16F3NO2S/c15-14(16,17)21-12-8-4-1-5-9(12)13(20)18-10-6-2-3-7-11(10)19/h1,4-5,8,10-11,19H,2-3,6-7H2,(H,18,20)/t10-,11-/m0/s1
InChIKeyXBOYFJVOJBGBJZ-QWRGUYRKSA-N
MW319.35 g/mol
LogP3.33
Rot. Bonds3

About N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethylsulfanyl)benzamide

N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethylsulfanyl)benzamide (PubChem CID 104957142) has the molecular formula C14H16F3NO2S and a molecular weight of 319.35 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethylsulfanyl)benzamide
PubChem CID104957142
Molecular FormulaC14H16F3NO2S
Molecular Weight319.35 g/mol
Exact Mass319.09
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethylsulfanyl)benzamide
SMILESO=C(N[C@H]1CCCC[C@@H]1O)c1ccccc1SC(F)(F)F
InChIInChI=1S/C14H16F3NO2S/c15-14(16,17)21-12-8-4-1-5-9(12)13(20)18-10-6-2-3-7-11(10)19/h1,4-5,8,10-11,19H,2-3,6-7H2,(H,18,20)/t10-,11-/m0/s1
InChIKeyXBOYFJVOJBGBJZ-QWRGUYRKSA-N
XLogP3.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S,2S)-2-hydroxycyclohexyl]carbamoyl]benzoic acid
CID 94415090
2-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]benzoic acid
CID 94415091
N-[(2R)-2-hydroxycyclohexyl]-2-iodobenzamide
CID 6709814
N-(2-hydroxycyclohexyl)-2-iodobenzamide
CID 62365410
2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(trifluoromethyl)benzamide
CID 104956750
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(propan-2-ylamino)benzamide
CID 107223849
3-bromo-2-fluoro-N-(2-hydroxycycloheptyl)benzamide
CID 107953230
2-chloro-3-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 104956755
3-bromo-2-chloro-N-(2-hydroxycyclohexyl)benzamide
CID 110021575
N-(2-hydroxycyclopentyl)-2-(4-nitrophenyl)sulfanylbenzamide
CID 16666926
2-[acetyl(methyl)amino]-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 104927739
3-amino-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 45086848

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethylsulfanyl)benzamide (CID 104957142) is N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethylsulfanyl)benzamide is O=C(N[C@H]1CCCC[C@@H]1O)c1ccccc1SC(F)(F)F.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethylsulfanyl)benzamide?
The InChIKey is XBOYFJVOJBGBJZ-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H16F3NO2S/c15-14(16,17)21-12-8-4-1-5-9(12)13(20)18-10-6-2-3-7-11(10)19/h1,4-5,8,10-11,19H,2-3,6-7H2,(H,18,20)/t10-,11-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethylsulfanyl)benzamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethylsulfanyl)benzamide has a molecular weight of 319.35 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 104957142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).