1-(4-fluorophenyl)-N-[2-[(3R)-oxan-3-yl]ethyl]methanesulfonamide

C14H20FNO3S — CID 125434821

IUPAC1-(4-fluorophenyl)-N-[2-[(3R)-oxan-3-yl]ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCC[C@H]1CCCOC1
InChIInChI=1S/C14H20FNO3S/c15-14-5-3-13(4-6-14)11-20(17,18)16-8-7-12-2-1-9-19-10-12/h3-6,12,16H,1-2,7-11H2/t12-/m1/s1
InChIKeyFNHOOOZYELBHIF-GFCCVEGCSA-N
MW301.38 g/mol
LogP2.06
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[2-[(3R)-oxan-3-yl]ethyl]methanesulfonamide

1-(4-fluorophenyl)-N-[2-[(3R)-oxan-3-yl]ethyl]methanesulfonamide (PubChem CID 125434821) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-[(3R)-oxan-3-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-[(3R)-oxan-3-yl]ethyl]methanesulfonamide
PubChem CID125434821
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name1-(4-fluorophenyl)-N-[2-[(3R)-oxan-3-yl]ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCC[C@H]1CCCOC1
InChIInChI=1S/C14H20FNO3S/c15-14-5-3-13(4-6-14)11-20(17,18)16-8-7-12-2-1-9-19-10-12/h3-6,12,16H,1-2,7-11H2/t12-/m1/s1
InChIKeyFNHOOOZYELBHIF-GFCCVEGCSA-N
XLogP2.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)methanesulfonamide
CID 63624166
1-(4-fluorophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 104972619
N-[(4-fluorophenyl)methyl]-5-[2-[(3S)-oxan-3-yl]ethyl]-1,2,4-oxadiazole-3-carboxamide
CID 97012062
1-(2,4-difluorophenyl)-3-[2-[(3R)-oxan-3-yl]ethyl]urea
CID 125159828
N-(oxan-3-ylmethyl)-1-pyridin-3-ylmethanesulfonamide
CID 170285785
N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]-1-phenylmethanesulfonamide
CID 53103748
2-fluoro-5-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 106092820
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-(4-fluorophenyl)methanesulfonamide
CID 52907137
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-(4-fluorophenyl)methanesulfonamide
CID 98112507
1-(oxolan-3-yl)-N-(2-piperidin-3-ylethyl)methanesulfonamide;hydrochloride
CID 119979197
1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide
CID 99817476
2-fluoro-4-(methylaminomethyl)-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 106016517

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-[(3R)-oxan-3-yl]ethyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-[(3R)-oxan-3-yl]ethyl]methanesulfonamide (CID 125434821) is 1-(4-fluorophenyl)-N-[2-[(3R)-oxan-3-yl]ethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-[(3R)-oxan-3-yl]ethyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-[(3R)-oxan-3-yl]ethyl]methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)NCC[C@H]1CCCOC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-[(3R)-oxan-3-yl]ethyl]methanesulfonamide?
The InChIKey is FNHOOOZYELBHIF-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20FNO3S/c15-14-5-3-13(4-6-14)11-20(17,18)16-8-7-12-2-1-9-19-10-12/h3-6,12,16H,1-2,7-11H2/t12-/m1/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[2-[(3R)-oxan-3-yl]ethyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[2-[(3R)-oxan-3-yl]ethyl]methanesulfonamide has a molecular weight of 301.38 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-[(3R)-oxan-3-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 125434821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).