1-(2-fluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide

C14H20FNO3S — CID 19061841

IUPAC1-(2-fluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide
SMILESCN([C@@H]1CCCC[C@H]1O)S(=O)(=O)Cc1ccccc1F
InChIInChI=1S/C14H20FNO3S/c1-16(13-8-4-5-9-14(13)17)20(18,19)10-11-6-2-3-7-12(11)15/h2-3,6-7,13-14,17H,4-5,8-10H2,1H3/t13-,14-/m1/s1
InChIKeyXXULPBIMXRWDGF-ZIAGYGMSSA-N
MW301.38 g/mol
LogP1.89
Rot. Bonds4

About 1-(2-fluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide

1-(2-fluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide (PubChem CID 19061841) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide
PubChem CID19061841
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name1-(2-fluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide
SMILESCN([C@@H]1CCCC[C@H]1O)S(=O)(=O)Cc1ccccc1F
InChIInChI=1S/C14H20FNO3S/c1-16(13-8-4-5-9-14(13)17)20(18,19)10-11-6-2-3-7-12(11)15/h2-3,6-7,13-14,17H,4-5,8-10H2,1H3/t13-,14-/m1/s1
InChIKeyXXULPBIMXRWDGF-ZIAGYGMSSA-N
XLogP1.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminophenyl)-N-(2-hydroxycyclohexyl)-N-methylmethanesulfonamide
CID 102631235
3-fluoro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
CID 102635668
2-[(2-chloro-3-fluorophenyl)methyl-methylamino]cyclohexan-1-ol
CID 102636615
trans-(1R,2R)-2-[1-(2-fluorophenyl)ethyl-methylamino]cyclohexan-1-ol
CID 104954596
N-(2-chlorocyclohexyl)-2-(2-fluorophenyl)-N-methylacetamide
CID 102638052
4-bromo-2-fluoro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
CID 102635766
N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-nitrobenzenesulfonamide
CID 19916369
N-(1-aminopropan-2-yl)-1-(2-fluorophenyl)-N-methylmethanesulfonamide;hydrochloride
CID 119982725
2,3-dichloro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
CID 102635648
1-(2-ethylpiperidin-1-yl)-2-[(2-fluorophenyl)methylsulfonyl]ethanone
CID 86989421
2-[(2-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid
CID 103342452
2,5-dichloro-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylbenzenesulfonamide
CID 98557309

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide (CID 19061841) is 1-(2-fluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide is CN([C@@H]1CCCC[C@H]1O)S(=O)(=O)Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide?
The InChIKey is XXULPBIMXRWDGF-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-16(13-8-4-5-9-14(13)17)20(18,19)10-11-6-2-3-7-12(11)15/h2-3,6-7,13-14,17H,4-5,8-10H2,1H3/t13-,14-/m1/s1.
What are the key properties of 1-(2-fluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide?
1-(2-fluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide has a molecular weight of 301.38 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 19061841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).