4-fluoro-N-[1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide

C21H19F2NO3S — CID 46022049

IUPAC4-fluoro-N-[1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(N(C(C)c2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H19F2NO3S/c1-15(16-3-5-17(22)6-4-16)24(19-9-11-20(27-2)12-10-19)28(25,26)21-13-7-18(23)8-14-21/h3-15H,1-2H3
InChIKeyRZGYOLLTTSMOIS-UHFFFAOYSA-N
MW403.45 g/mol
LogP4.93
Rot. Bonds6

About 4-fluoro-N-[1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide

4-fluoro-N-[1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 46022049) has the molecular formula C21H19F2NO3S and a molecular weight of 403.45 g/mol. Its IUPAC name is 4-fluoro-N-[1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID46022049
Molecular FormulaC21H19F2NO3S
Molecular Weight403.45 g/mol
Exact Mass403.11
IUPAC Name4-fluoro-N-[1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(N(C(C)c2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H19F2NO3S/c1-15(16-3-5-17(22)6-4-16)24(19-9-11-20(27-2)12-10-19)28(25,26)21-13-7-18(23)8-14-21/h3-15H,1-2H3
InChIKeyRZGYOLLTTSMOIS-UHFFFAOYSA-N
XLogP4.93
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-(4-methylphenyl)benzenesulfonamide
CID 93207194
4-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 42841650
3-chloro-4-fluoro-N-(4-methoxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 93207679
N-(3,4-dimethoxyphenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-fluorobenzenesulfonamide
CID 46022076
2-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 93207276
N-[1-(4-methoxyphenyl)ethyl]-4-methyl-N-phenylbenzenesulfonamide
CID 42841654
3-fluoro-N-(4-methoxyphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 46023164
3-fluoro-N-(4-methoxyphenyl)-4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 93207564
N-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 42841669
N-(1,3-benzodioxol-5-yl)-4-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 93207027
4-methoxy-N-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 93179170
4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 46014813

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide (CID 46022049) is 4-fluoro-N-[1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(N(C(C)c2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is RZGYOLLTTSMOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2NO3S/c1-15(16-3-5-17(22)6-4-16)24(19-9-11-20(27-2)12-10-19)28(25,26)21-13-7-18(23)8-14-21/h3-15H,1-2H3.
What are the key properties of 4-fluoro-N-[1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide?
4-fluoro-N-[1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 403.45 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 46022049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).