N-[(1R)-1-[3-(2,2-difluoroethoxy)-4-fluorophenyl]ethyl]hexane-1-sulfonamide

C16H24F3NO3S — CID 135198061

IUPACN-[(1R)-1-[3-(2,2-difluoroethoxy)-4-fluorophenyl]ethyl]hexane-1-sulfonamide
SMILESCCCCCCS(=O)(=O)N[C@H](C)c1ccc(F)c(OCC(F)F)c1
InChIInChI=1S/C16H24F3NO3S/c1-3-4-5-6-9-24(21,22)20-12(2)13-7-8-14(17)15(10-13)23-11-16(18)19/h7-8,10,12,16,20H,3-6,9,11H2,1-2H3/t12-/m1/s1
InChIKeyHVFARSAGAUSVHM-GFCCVEGCSA-N
MW367.43 g/mol
LogP4.03
Rot. Bonds11

About N-[(1R)-1-[3-(2,2-difluoroethoxy)-4-fluorophenyl]ethyl]hexane-1-sulfonamide

N-[(1R)-1-[3-(2,2-difluoroethoxy)-4-fluorophenyl]ethyl]hexane-1-sulfonamide (PubChem CID 135198061) has the molecular formula C16H24F3NO3S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[(1R)-1-[3-(2,2-difluoroethoxy)-4-fluorophenyl]ethyl]hexane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-(2,2-difluoroethoxy)-4-fluorophenyl]ethyl]hexane-1-sulfonamide
PubChem CID135198061
Molecular FormulaC16H24F3NO3S
Molecular Weight367.43 g/mol
Exact Mass367.14
IUPAC NameN-[(1R)-1-[3-(2,2-difluoroethoxy)-4-fluorophenyl]ethyl]hexane-1-sulfonamide
SMILESCCCCCCS(=O)(=O)N[C@H](C)c1ccc(F)c(OCC(F)F)c1
InChIInChI=1S/C16H24F3NO3S/c1-3-4-5-6-9-24(21,22)20-12(2)13-7-8-14(17)15(10-13)23-11-16(18)19/h7-8,10,12,16,20H,3-6,9,11H2,1-2H3/t12-/m1/s1
InChIKeyHVFARSAGAUSVHM-GFCCVEGCSA-N
XLogP4.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-[1-(4-fluoro-3-prop-2-enoxyphenyl)ethyl]pentane-1-sulfonamide
CID 135186536
N-[(1R)-1-[3-(2,2-difluoroethoxy)-4-fluorophenyl]ethyl]-3-[(2,4-dioxopyrimidin-1-yl)methoxy]propane-1-sulfonamide
CID 53232835
5-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluoro-3-propoxyphenyl)ethyl]pentane-1-sulfonamide
CID 134544090
5-amino-N-[1-[3-(2-cyclopropylethoxy)-4-fluorophenyl]ethyl]pentane-1-sulfonamide
CID 134541012
N-[(1R)-1-[4-fluoro-3-(2-methylpropoxy)phenyl]ethyl]-5-(5-methyl-2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155346996
N-[(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-4-(methylamino)butane-1-sulfonamide
CID 146228258
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 146352863
N-[(1R)-1-[4-fluoro-3-[(2R)-3-hydroxy-2-methylpropoxy]phenyl]ethyl]but-3-ene-1-sulfonamide
CID 135186533
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanesulfonamide
CID 47371507
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide
CID 146353456
N-[1-[3-(cyanomethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 153312100
3-[[(1R)-1-(3-cyclopentyloxy-4-fluorophenyl)ethyl]sulfamoyl]propyl acetate
CID 153312148

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(2,2-difluoroethoxy)-4-fluorophenyl]ethyl]hexane-1-sulfonamide?
The IUPAC name of N-[(1R)-1-[3-(2,2-difluoroethoxy)-4-fluorophenyl]ethyl]hexane-1-sulfonamide (CID 135198061) is N-[(1R)-1-[3-(2,2-difluoroethoxy)-4-fluorophenyl]ethyl]hexane-1-sulfonamide.
What is the SMILES notation for N-[(1R)-1-[3-(2,2-difluoroethoxy)-4-fluorophenyl]ethyl]hexane-1-sulfonamide?
The canonical SMILES for N-[(1R)-1-[3-(2,2-difluoroethoxy)-4-fluorophenyl]ethyl]hexane-1-sulfonamide is CCCCCCS(=O)(=O)N[C@H](C)c1ccc(F)c(OCC(F)F)c1.
What is the InChIKey of N-[(1R)-1-[3-(2,2-difluoroethoxy)-4-fluorophenyl]ethyl]hexane-1-sulfonamide?
The InChIKey is HVFARSAGAUSVHM-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24F3NO3S/c1-3-4-5-6-9-24(21,22)20-12(2)13-7-8-14(17)15(10-13)23-11-16(18)19/h7-8,10,12,16,20H,3-6,9,11H2,1-2H3/t12-/m1/s1.
What are the key properties of N-[(1R)-1-[3-(2,2-difluoroethoxy)-4-fluorophenyl]ethyl]hexane-1-sulfonamide?
N-[(1R)-1-[3-(2,2-difluoroethoxy)-4-fluorophenyl]ethyl]hexane-1-sulfonamide has a molecular weight of 367.43 g/mol, XLogP of 4.03, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-(2,2-difluoroethoxy)-4-fluorophenyl]ethyl]hexane-1-sulfonamide is sourced from PubChem (CID 135198061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).