2-fluoro-6-hydroxy-N-(2-methylsulfanylcyclohexyl)benzamide

C14H18FNO2S — CID 104917753

IUPAC2-fluoro-6-hydroxy-N-(2-methylsulfanylcyclohexyl)benzamide
SMILESCSC1CCCCC1NC(=O)c1c(O)cccc1F
InChIInChI=1S/C14H18FNO2S/c1-19-12-8-3-2-6-10(12)16-14(18)13-9(15)5-4-7-11(13)17/h4-5,7,10,12,17H,2-3,6,8H2,1H3,(H,16,18)
InChIKeyUWUFCPLOBQUUBP-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.94
Rot. Bonds3

About 2-fluoro-6-hydroxy-N-(2-methylsulfanylcyclohexyl)benzamide

2-fluoro-6-hydroxy-N-(2-methylsulfanylcyclohexyl)benzamide (PubChem CID 104917753) has the molecular formula C14H18FNO2S and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-fluoro-6-hydroxy-N-(2-methylsulfanylcyclohexyl)benzamide.

Molecular Properties

Compound Name2-fluoro-6-hydroxy-N-(2-methylsulfanylcyclohexyl)benzamide
PubChem CID104917753
Molecular FormulaC14H18FNO2S
Molecular Weight283.37 g/mol
Exact Mass283.10
IUPAC Name2-fluoro-6-hydroxy-N-(2-methylsulfanylcyclohexyl)benzamide
SMILESCSC1CCCCC1NC(=O)c1c(O)cccc1F
InChIInChI=1S/C14H18FNO2S/c1-19-12-8-3-2-6-10(12)16-14(18)13-9(15)5-4-7-11(13)17/h4-5,7,10,12,17H,2-3,6,8H2,1H3,(H,16,18)
InChIKeyUWUFCPLOBQUUBP-UHFFFAOYSA-N
XLogP2.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-hydroxy-N-(2-hydroxycyclohexyl)benzamide
CID 104920401
N-cyclooctyl-2-fluoro-6-hydroxybenzamide
CID 107015091
4-fluoro-2-hydroxy-N-(2-methylsulfanylcyclohexyl)benzamide
CID 103888808
N-[(1R,2R)-2-[(S)-ethylsulfinyl]cyclohexyl]-2-fluoro-6-hydroxybenzamide
CID 124864793
3-[(2-methylsulfanylcyclohexyl)carbamoyl]benzoic acid
CID 103866458
N-(2-ethylsulfanylcyclopentyl)-2,6-dihydroxybenzamide
CID 103892655
2-fluoro-6-hydroxy-N-(4-methylpiperidin-3-yl)benzamide
CID 107014738
3,5-dihydroxy-N-(2-methylsulfanylcyclohexyl)benzamide
CID 104939046
N-(2-methylsulfanylcyclohexyl)-4-sulfanylbenzamide
CID 114124428
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2,6-difluorobenzamide
CID 124811505
2-fluoro-6-hydroxy-N-(3-methylcyclohexyl)benzamide
CID 104916812
2,6-dihydroxy-N-(2-propan-2-ylcyclohexyl)benzamide
CID 107689521

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydroxy-N-(2-methylsulfanylcyclohexyl)benzamide?
The IUPAC name of 2-fluoro-6-hydroxy-N-(2-methylsulfanylcyclohexyl)benzamide (CID 104917753) is 2-fluoro-6-hydroxy-N-(2-methylsulfanylcyclohexyl)benzamide.
What is the SMILES notation for 2-fluoro-6-hydroxy-N-(2-methylsulfanylcyclohexyl)benzamide?
The canonical SMILES for 2-fluoro-6-hydroxy-N-(2-methylsulfanylcyclohexyl)benzamide is CSC1CCCCC1NC(=O)c1c(O)cccc1F.
What is the InChIKey of 2-fluoro-6-hydroxy-N-(2-methylsulfanylcyclohexyl)benzamide?
The InChIKey is UWUFCPLOBQUUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2S/c1-19-12-8-3-2-6-10(12)16-14(18)13-9(15)5-4-7-11(13)17/h4-5,7,10,12,17H,2-3,6,8H2,1H3,(H,16,18).
What are the key properties of 2-fluoro-6-hydroxy-N-(2-methylsulfanylcyclohexyl)benzamide?
2-fluoro-6-hydroxy-N-(2-methylsulfanylcyclohexyl)benzamide has a molecular weight of 283.37 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-hydroxy-N-(2-methylsulfanylcyclohexyl)benzamide is sourced from PubChem (CID 104917753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).