3-[2-[[6-[2-(2,4-difluorophenyl)ethenyl]-3-pyridinyl]sulfonyl]phenoxy]-N,N-dimethylpropan-1-amine

C24H24F2N2O3S — CID 68535925

IUPAC3-[2-[[6-[2-(2,4-difluorophenyl)ethenyl]-3-pyridinyl]sulfonyl]phenoxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1ccccc1S(=O)(=O)c1ccc(C=Cc2ccc(F)cc2F)nc1
InChIInChI=1S/C24H24F2N2O3S/c1-28(2)14-5-15-31-23-6-3-4-7-24(23)32(29,30)21-13-12-20(27-17-21)11-9-18-8-10-19(25)16-22(18)26/h3-4,6-13,16-17H,5,14-15H2,1-2H3
InChIKeyRKWWKTHOHZWNMX-UHFFFAOYSA-N
MW458.53 g/mol
LogP4.69
Rot. Bonds9

About 3-[2-[[6-[2-(2,4-difluorophenyl)ethenyl]-3-pyridinyl]sulfonyl]phenoxy]-N,N-dimethylpropan-1-amine

3-[2-[[6-[2-(2,4-difluorophenyl)ethenyl]-3-pyridinyl]sulfonyl]phenoxy]-N,N-dimethylpropan-1-amine (PubChem CID 68535925) has the molecular formula C24H24F2N2O3S and a molecular weight of 458.53 g/mol. Its IUPAC name is 3-[2-[[6-[2-(2,4-difluorophenyl)ethenyl]-3-pyridinyl]sulfonyl]phenoxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[2-[[6-[2-(2,4-difluorophenyl)ethenyl]-3-pyridinyl]sulfonyl]phenoxy]-N,N-dimethylpropan-1-amine
PubChem CID68535925
Molecular FormulaC24H24F2N2O3S
Molecular Weight458.53 g/mol
Exact Mass458.15
IUPAC Name3-[2-[[6-[2-(2,4-difluorophenyl)ethenyl]-3-pyridinyl]sulfonyl]phenoxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1ccccc1S(=O)(=O)c1ccc(C=Cc2ccc(F)cc2F)nc1
InChIInChI=1S/C24H24F2N2O3S/c1-28(2)14-5-15-31-23-6-3-4-7-24(23)32(29,30)21-13-12-20(27-17-21)11-9-18-8-10-19(25)16-22(18)26/h3-4,6-13,16-17H,5,14-15H2,1-2H3
InChIKeyRKWWKTHOHZWNMX-UHFFFAOYSA-N
XLogP4.69
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[2-[[6-[2-(2,4-difluorophenyl)ethenyl]-3-pyridinyl]sulfonyl]phenoxy]-N,N-dimethylpropan-1-amine with MolForge

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Related Compounds

N-pentyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]pentan-1-amine
CID 13938132
N-butyl-N-[3-[4-(2-tert-butylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine
CID 10028882
N-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine
CID 10458050
N-butyl-N-[3-[4-(2-cyclohexylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine
CID 11756579
Dimethyl-{2-[3-(2-trifluoromethoxy-benzenesulfonyl)-indol-1-yl]-ethyl}-amine
CID 12147017
3-[4-(2-methylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine
CID 13938102
N-butyl-N-[3-[4-(2-methylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine
CID 13938103
3-[4-(2-ethylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine
CID 13938104
N-butyl-N-[3-[4-(2-ethylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine
CID 13938105
N-butyl-N-[3-[4-(2-propylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine
CID 13938108
3-[4-(2-butylindolizin-1-yl)sulfonylphenoxy]-N,N-dipropylpropan-1-amine
CID 13938109
N-butyl-N-[3-[4-(2-butylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine
CID 13938110

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[6-[2-(2,4-difluorophenyl)ethenyl]-3-pyridinyl]sulfonyl]phenoxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[2-[[6-[2-(2,4-difluorophenyl)ethenyl]-3-pyridinyl]sulfonyl]phenoxy]-N,N-dimethylpropan-1-amine (CID 68535925) is 3-[2-[[6-[2-(2,4-difluorophenyl)ethenyl]-3-pyridinyl]sulfonyl]phenoxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[2-[[6-[2-(2,4-difluorophenyl)ethenyl]-3-pyridinyl]sulfonyl]phenoxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[2-[[6-[2-(2,4-difluorophenyl)ethenyl]-3-pyridinyl]sulfonyl]phenoxy]-N,N-dimethylpropan-1-amine is CN(C)CCCOc1ccccc1S(=O)(=O)c1ccc(C=Cc2ccc(F)cc2F)nc1.
What is the InChIKey of 3-[2-[[6-[2-(2,4-difluorophenyl)ethenyl]-3-pyridinyl]sulfonyl]phenoxy]-N,N-dimethylpropan-1-amine?
The InChIKey is RKWWKTHOHZWNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2O3S/c1-28(2)14-5-15-31-23-6-3-4-7-24(23)32(29,30)21-13-12-20(27-17-21)11-9-18-8-10-19(25)16-22(18)26/h3-4,6-13,16-17H,5,14-15H2,1-2H3.
What are the key properties of 3-[2-[[6-[2-(2,4-difluorophenyl)ethenyl]-3-pyridinyl]sulfonyl]phenoxy]-N,N-dimethylpropan-1-amine?
3-[2-[[6-[2-(2,4-difluorophenyl)ethenyl]-3-pyridinyl]sulfonyl]phenoxy]-N,N-dimethylpropan-1-amine has a molecular weight of 458.53 g/mol, XLogP of 4.69, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[6-[2-(2,4-difluorophenyl)ethenyl]-3-pyridinyl]sulfonyl]phenoxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 68535925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).