N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]ethanesulfonamide

C12H17F2NO3S — CID 95781613

IUPACN-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]ethanesulfonamide
SMILESCC[C@H](NS(=O)(=O)CC)c1ccccc1OC(F)F
InChIInChI=1S/C12H17F2NO3S/c1-3-10(15-19(16,17)4-2)9-7-5-6-8-11(9)18-12(13)14/h5-8,10,12,15H,3-4H2,1-2H3/t10-/m0/s1
InChIKeyAGIDSGOBDGPMCY-JTQLQIEISA-N
MW293.33 g/mol
LogP2.68
Rot. Bonds7

About N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]ethanesulfonamide

N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]ethanesulfonamide (PubChem CID 95781613) has the molecular formula C12H17F2NO3S and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]ethanesulfonamide
PubChem CID95781613
Molecular FormulaC12H17F2NO3S
Molecular Weight293.33 g/mol
Exact Mass293.09
IUPAC NameN-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]ethanesulfonamide
SMILESCC[C@H](NS(=O)(=O)CC)c1ccccc1OC(F)F
InChIInChI=1S/C12H17F2NO3S/c1-3-10(15-19(16,17)4-2)9-7-5-6-8-11(9)18-12(13)14/h5-8,10,12,15H,3-4H2,1-2H3/t10-/m0/s1
InChIKeyAGIDSGOBDGPMCY-JTQLQIEISA-N
XLogP2.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-2-methoxyethanesulfonamide
CID 95775445
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide
CID 95781615
(1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol
CID 78930737
N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-(ethylsulfamoyl)benzamide
CID 55656191
3-[1-(2-methoxyphenyl)propylsulfamoyl]propanoic acid
CID 43709145
1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine
CID 62066384
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-2-phenoxyacetamide
CID 34703779
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-phenoxypropanamide
CID 51942664
1-(2-bromophenyl)-3-[1-[2-(difluoromethoxy)phenyl]propyl]urea
CID 55696855
N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-pyrrolidin-1-ylsulfonylbutanamide
CID 112844401
1-[2-(difluoromethoxy)phenyl]-2-ethoxy-N-ethylethanamine
CID 105008215
4-[4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoyl]phenoxy]benzamide
CID 56545716

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]ethanesulfonamide?
The IUPAC name of N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]ethanesulfonamide (CID 95781613) is N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]ethanesulfonamide.
What is the SMILES notation for N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]ethanesulfonamide?
The canonical SMILES for N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]ethanesulfonamide is CC[C@H](NS(=O)(=O)CC)c1ccccc1OC(F)F.
What is the InChIKey of N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]ethanesulfonamide?
The InChIKey is AGIDSGOBDGPMCY-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17F2NO3S/c1-3-10(15-19(16,17)4-2)9-7-5-6-8-11(9)18-12(13)14/h5-8,10,12,15H,3-4H2,1-2H3/t10-/m0/s1.
What are the key properties of N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]ethanesulfonamide?
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]ethanesulfonamide has a molecular weight of 293.33 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]ethanesulfonamide is sourced from PubChem (CID 95781613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).