4-[3-(4-fluorophenoxy)phenoxy]-N,N-dimethylbenzenesulfonamide

C20H18FNO4S — CID 141362712

IUPAC4-[3-(4-fluorophenoxy)phenoxy]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Oc2cccc(Oc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C20H18FNO4S/c1-22(2)27(23,24)20-12-10-17(11-13-20)26-19-5-3-4-18(14-19)25-16-8-6-15(21)7-9-16/h3-14H,1-2H3
InChIKeyOBSGYCPWTJEAHU-UHFFFAOYSA-N
MW387.43 g/mol
LogP4.66
Rot. Bonds6

About 4-[3-(4-fluorophenoxy)phenoxy]-N,N-dimethylbenzenesulfonamide

4-[3-(4-fluorophenoxy)phenoxy]-N,N-dimethylbenzenesulfonamide (PubChem CID 141362712) has the molecular formula C20H18FNO4S and a molecular weight of 387.43 g/mol. Its IUPAC name is 4-[3-(4-fluorophenoxy)phenoxy]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-fluorophenoxy)phenoxy]-N,N-dimethylbenzenesulfonamide
PubChem CID141362712
Molecular FormulaC20H18FNO4S
Molecular Weight387.43 g/mol
Exact Mass387.09
IUPAC Name4-[3-(4-fluorophenoxy)phenoxy]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Oc2cccc(Oc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C20H18FNO4S/c1-22(2)27(23,24)20-12-10-17(11-13-20)26-19-5-3-4-18(14-19)25-16-8-6-15(21)7-9-16/h3-14H,1-2H3
InChIKeyOBSGYCPWTJEAHU-UHFFFAOYSA-N
XLogP4.66
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-fluoro-4-[3-[3-[3-[3-(4-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene
CID 22338364
4-(4-aminophenoxy)-N,N-dimethylbenzenesulfonamide
CID 12943036
1-(4-fluorophenyl)sulfonyl-4-phenoxybenzene
CID 853558
(4-fluorophenyl) 3-(dimethylsulfamoyl)benzoate
CID 8764876
1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene
CID 22338391
N-methyl-4-phenoxy-N-phenylbenzenesulfonamide
CID 802691
2-chloro-5-(dimethylsulfamoyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide
CID 24514466
4-(3-methoxyphenoxy)benzenesulfonyl chloride
CID 18071781
4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide
CID 110291005
4-[2-(2-bromo-4-fluorophenoxy)ethoxy]-N,N-dimethylbenzenesulfonamide
CID 39601918
N-(2,6-difluorophenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 47359938
1-[4-[4-(3-bromophenoxy)phenyl]sulfonylphenoxy]-3-[4-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylphenoxy]benzene
CID 20521001

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenoxy)phenoxy]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[3-(4-fluorophenoxy)phenoxy]-N,N-dimethylbenzenesulfonamide (CID 141362712) is 4-[3-(4-fluorophenoxy)phenoxy]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[3-(4-fluorophenoxy)phenoxy]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[3-(4-fluorophenoxy)phenoxy]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(Oc2cccc(Oc3ccc(F)cc3)c2)cc1.
What is the InChIKey of 4-[3-(4-fluorophenoxy)phenoxy]-N,N-dimethylbenzenesulfonamide?
The InChIKey is OBSGYCPWTJEAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO4S/c1-22(2)27(23,24)20-12-10-17(11-13-20)26-19-5-3-4-18(14-19)25-16-8-6-15(21)7-9-16/h3-14H,1-2H3.
What are the key properties of 4-[3-(4-fluorophenoxy)phenoxy]-N,N-dimethylbenzenesulfonamide?
4-[3-(4-fluorophenoxy)phenoxy]-N,N-dimethylbenzenesulfonamide has a molecular weight of 387.43 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenoxy)phenoxy]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 141362712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).