3,4-difluoro-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzenesulfonamide

C20H18F2N2O3S — CID 55698190

IUPAC3,4-difluoro-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)c(F)c1)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C20H18F2N2O3S/c1-14(24-28(25,26)18-8-9-19(21)20(22)11-18)16-4-6-17(7-5-16)27-13-15-3-2-10-23-12-15/h2-12,14,24H,13H2,1H3
InChIKeyWLGPTFKSKVLCAA-UHFFFAOYSA-N
MW404.44 g/mol
LogP3.98
Rot. Bonds7

About 3,4-difluoro-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzenesulfonamide

3,4-difluoro-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzenesulfonamide (PubChem CID 55698190) has the molecular formula C20H18F2N2O3S and a molecular weight of 404.44 g/mol. Its IUPAC name is 3,4-difluoro-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzenesulfonamide
PubChem CID55698190
Molecular FormulaC20H18F2N2O3S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC Name3,4-difluoro-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)c(F)c1)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C20H18F2N2O3S/c1-14(24-28(25,26)18-8-9-19(21)20(22)11-18)16-4-6-17(7-5-16)27-13-15-3-2-10-23-12-15/h2-12,14,24H,13H2,1H3
InChIKeyWLGPTFKSKVLCAA-UHFFFAOYSA-N
XLogP3.98
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(ethylsulfamoyl)-2-methyl-N-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
CID 51658233
3,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 103854165
1-[4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 43503736
3-[[[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]amino]methyl]phenol
CID 95276770
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
5-bromo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide
CID 55692986
2-[benzenesulfonyl(methyl)amino]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 46463730
2-[[[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]amino]methyl]phenol
CID 95567478
1-(2,2-difluoroethyl)-1-methyl-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea
CID 71879259
1-(2,2-difluoroethyl)-1-methyl-3-[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea
CID 97020773
(E)-N-[1-(4-chlorophenyl)ethyl]-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide
CID 42950724
2,5-dimethyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
CID 46454003

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzenesulfonamide (CID 55698190) is 3,4-difluoro-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1ccc(F)c(F)c1)c1ccc(OCc2cccnc2)cc1.
What is the InChIKey of 3,4-difluoro-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzenesulfonamide?
The InChIKey is WLGPTFKSKVLCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O3S/c1-14(24-28(25,26)18-8-9-19(21)20(22)11-18)16-4-6-17(7-5-16)27-13-15-3-2-10-23-12-15/h2-12,14,24H,13H2,1H3.
What are the key properties of 3,4-difluoro-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzenesulfonamide?
3,4-difluoro-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzenesulfonamide has a molecular weight of 404.44 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 55698190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).