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

C13H19F2NO4S — CID 95775445

IUPACN-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-2-methoxyethanesulfonamide
SMILESCC[C@H](NS(=O)(=O)CCOC)c1ccccc1OC(F)F
InChIInChI=1S/C13H19F2NO4S/c1-3-11(16-21(17,18)9-8-19-2)10-6-4-5-7-12(10)20-13(14)15/h4-7,11,13,16H,3,8-9H2,1-2H3/t11-/m0/s1
InChIKeyDOIZKHXKLZNICT-NSHDSACASA-N
MW323.36 g/mol
LogP2.30
Rot. Bonds9

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

N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-2-methoxyethanesulfonamide (PubChem CID 95775445) has the molecular formula C13H19F2NO4S and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-2-methoxyethanesulfonamide
PubChem CID95775445
Molecular FormulaC13H19F2NO4S
Molecular Weight323.36 g/mol
Exact Mass323.10
IUPAC NameN-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-2-methoxyethanesulfonamide
SMILESCC[C@H](NS(=O)(=O)CCOC)c1ccccc1OC(F)F
InChIInChI=1S/C13H19F2NO4S/c1-3-11(16-21(17,18)9-8-19-2)10-6-4-5-7-12(10)20-13(14)15/h4-7,11,13,16H,3,8-9H2,1-2H3/t11-/m0/s1
InChIKeyDOIZKHXKLZNICT-NSHDSACASA-N
XLogP2.30
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]ethanesulfonamide
CID 95781613
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide
CID 95781615
3-[1-(2-methoxyphenyl)propylsulfamoyl]propanoic acid
CID 43709145
N-[1-[2-(difluoromethoxy)phenyl]propyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78868230
N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-(ethylsulfamoyl)benzamide
CID 55656191
5-(tert-butylsulfamoyl)-N-[1-[2-(difluoromethoxy)phenyl]propyl]furan-2-carboxamide
CID 55656061
(1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol
CID 78930737
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-phenoxypropanamide
CID 51942664
N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-pyrrolidin-1-ylsulfonylbutanamide
CID 112844401
1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine
CID 62066384
4-[4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoyl]phenoxy]benzamide
CID 56545716
N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-hydroxy-6-oxopyridine-2-carboxamide
CID 119037362

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-2-methoxyethanesulfonamide?
The IUPAC name of N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-2-methoxyethanesulfonamide (CID 95775445) is N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-2-methoxyethanesulfonamide is CC[C@H](NS(=O)(=O)CCOC)c1ccccc1OC(F)F.
What is the InChIKey of N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-2-methoxyethanesulfonamide?
The InChIKey is DOIZKHXKLZNICT-NSHDSACASA-N. The full InChI is InChI=1S/C13H19F2NO4S/c1-3-11(16-21(17,18)9-8-19-2)10-6-4-5-7-12(10)20-13(14)15/h4-7,11,13,16H,3,8-9H2,1-2H3/t11-/m0/s1.
What are the key properties of N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-2-methoxyethanesulfonamide?
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-2-methoxyethanesulfonamide has a molecular weight of 323.36 g/mol, XLogP of 2.30, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-2-methoxyethanesulfonamide is sourced from PubChem (CID 95775445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).