N-[(1R,2R)-2-[(S)-ethylsulfinyl]cyclohexyl]-2-fluoro-6-hydroxybenzamide

C15H20FNO3S — CID 124864793

IUPACN-[(1R,2R)-2-[(S)-ethylsulfinyl]cyclohexyl]-2-fluoro-6-hydroxybenzamide
SMILESCC[S@](=O)[C@@H]1CCCC[C@H]1NC(=O)c1c(O)cccc1F
InChIInChI=1S/C15H20FNO3S/c1-2-21(20)13-9-4-3-7-11(13)17-15(19)14-10(16)6-5-8-12(14)18/h5-6,8,11,13,18H,2-4,7,9H2,1H3,(H,17,19)/t11-,13-,21+/m1/s1
InChIKeyCBZKUDZWUPBUBK-FTFVXWMISA-N
MW313.39 g/mol
LogP2.34
Rot. Bonds4

About N-[(1R,2R)-2-[(S)-ethylsulfinyl]cyclohexyl]-2-fluoro-6-hydroxybenzamide

N-[(1R,2R)-2-[(S)-ethylsulfinyl]cyclohexyl]-2-fluoro-6-hydroxybenzamide (PubChem CID 124864793) has the molecular formula C15H20FNO3S and a molecular weight of 313.39 g/mol. Its IUPAC name is N-[(1R,2R)-2-[(S)-ethylsulfinyl]cyclohexyl]-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-[(S)-ethylsulfinyl]cyclohexyl]-2-fluoro-6-hydroxybenzamide
PubChem CID124864793
Molecular FormulaC15H20FNO3S
Molecular Weight313.39 g/mol
Exact Mass313.11
IUPAC NameN-[(1R,2R)-2-[(S)-ethylsulfinyl]cyclohexyl]-2-fluoro-6-hydroxybenzamide
SMILESCC[S@](=O)[C@@H]1CCCC[C@H]1NC(=O)c1c(O)cccc1F
InChIInChI=1S/C15H20FNO3S/c1-2-21(20)13-9-4-3-7-11(13)17-15(19)14-10(16)6-5-8-12(14)18/h5-6,8,11,13,18H,2-4,7,9H2,1H3,(H,17,19)/t11-,13-,21+/m1/s1
InChIKeyCBZKUDZWUPBUBK-FTFVXWMISA-N
XLogP2.34
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.34
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-[(1R,2R)-2-[(S)-ethylsulfinyl]cyclohexyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 129446532
2-fluoro-6-hydroxy-N-(2-methylsulfanylcyclohexyl)benzamide
CID 104917753
N-cyclooctyl-2-fluoro-6-hydroxybenzamide
CID 107015091
2-fluoro-6-hydroxy-N-[4-(propylamino)cyclohexyl]benzamide
CID 107014639
2-fluoro-6-hydroxy-N-(4-methylpiperidin-3-yl)benzamide
CID 107014738
N-[(1R,2R)-2-[(S)-ethylsulfinyl]cyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 124866470
N-(2-ethylsulfinylcyclohexyl)-2-hydroxycyclopentane-1-carboxamide
CID 110016149
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
N-[(1R,2R)-2-[(S)-ethylsulfinyl]cyclohexyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 124731154

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-[(S)-ethylsulfinyl]cyclohexyl]-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-[(1R,2R)-2-[(S)-ethylsulfinyl]cyclohexyl]-2-fluoro-6-hydroxybenzamide (CID 124864793) is N-[(1R,2R)-2-[(S)-ethylsulfinyl]cyclohexyl]-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-[(1R,2R)-2-[(S)-ethylsulfinyl]cyclohexyl]-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-[(1R,2R)-2-[(S)-ethylsulfinyl]cyclohexyl]-2-fluoro-6-hydroxybenzamide is CC[S@](=O)[C@@H]1CCCC[C@H]1NC(=O)c1c(O)cccc1F.
What is the InChIKey of N-[(1R,2R)-2-[(S)-ethylsulfinyl]cyclohexyl]-2-fluoro-6-hydroxybenzamide?
The InChIKey is CBZKUDZWUPBUBK-FTFVXWMISA-N. The full InChI is InChI=1S/C15H20FNO3S/c1-2-21(20)13-9-4-3-7-11(13)17-15(19)14-10(16)6-5-8-12(14)18/h5-6,8,11,13,18H,2-4,7,9H2,1H3,(H,17,19)/t11-,13-,21+/m1/s1.
What are the key properties of N-[(1R,2R)-2-[(S)-ethylsulfinyl]cyclohexyl]-2-fluoro-6-hydroxybenzamide?
N-[(1R,2R)-2-[(S)-ethylsulfinyl]cyclohexyl]-2-fluoro-6-hydroxybenzamide has a molecular weight of 313.39 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-[(S)-ethylsulfinyl]cyclohexyl]-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 124864793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).