N-[1-[2-(2,4-difluorophenyl)phenyl]ethyl]-3-methoxybenzenesulfonamide

C21H19F2NO3S — CID 22482284

IUPACN-[1-[2-(2,4-difluorophenyl)phenyl]ethyl]-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NC(C)c2ccccc2-c2ccc(F)cc2F)c1
InChIInChI=1S/C21H19F2NO3S/c1-14(24-28(25,26)17-7-5-6-16(13-17)27-2)18-8-3-4-9-19(18)20-11-10-15(22)12-21(20)23/h3-14,24H,1-2H3
InChIKeyVXFQXJQMFRVKOJ-UHFFFAOYSA-N
MW403.45 g/mol
LogP4.68
Rot. Bonds6

About N-[1-[2-(2,4-difluorophenyl)phenyl]ethyl]-3-methoxybenzenesulfonamide

N-[1-[2-(2,4-difluorophenyl)phenyl]ethyl]-3-methoxybenzenesulfonamide (PubChem CID 22482284) has the molecular formula C21H19F2NO3S and a molecular weight of 403.45 g/mol. Its IUPAC name is N-[1-[2-(2,4-difluorophenyl)phenyl]ethyl]-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(2,4-difluorophenyl)phenyl]ethyl]-3-methoxybenzenesulfonamide
PubChem CID22482284
Molecular FormulaC21H19F2NO3S
Molecular Weight403.45 g/mol
Exact Mass403.11
IUPAC NameN-[1-[2-(2,4-difluorophenyl)phenyl]ethyl]-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NC(C)c2ccccc2-c2ccc(F)cc2F)c1
InChIInChI=1S/C21H19F2NO3S/c1-14(24-28(25,26)17-7-5-6-16(13-17)27-2)18-8-3-4-9-19(18)20-11-10-15(22)12-21(20)23/h3-14,24H,1-2H3
InChIKeyVXFQXJQMFRVKOJ-UHFFFAOYSA-N
XLogP4.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(2,4-difluorophenyl)phenyl]ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22482306
3-fluoro-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 133202669
N-[1-(2-aminophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 43298053
N-[(1S)-1-(2-methoxyphenyl)ethyl]naphthalene-2-sulfonamide
CID 2496333
N-[1-(2,4-difluorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 51169578
methyl 2-[(3-methoxyphenyl)sulfonylamino]propanoate
CID 81260226
methyl 3-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]benzoate
CID 31760778
3-methoxy-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 45369226
1-[2-(2,4-difluorophenyl)phenyl]ethanamine
CID 22482376
N-(1-amino-3-methylbutan-2-yl)-3-methoxybenzenesulfonamide
CID 81259771
3-amino-N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 61106720
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-nitrobenzenesulfonamide
CID 22206255

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,4-difluorophenyl)phenyl]ethyl]-3-methoxybenzenesulfonamide?
The IUPAC name of N-[1-[2-(2,4-difluorophenyl)phenyl]ethyl]-3-methoxybenzenesulfonamide (CID 22482284) is N-[1-[2-(2,4-difluorophenyl)phenyl]ethyl]-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-[1-[2-(2,4-difluorophenyl)phenyl]ethyl]-3-methoxybenzenesulfonamide?
The canonical SMILES for N-[1-[2-(2,4-difluorophenyl)phenyl]ethyl]-3-methoxybenzenesulfonamide is COc1cccc(S(=O)(=O)NC(C)c2ccccc2-c2ccc(F)cc2F)c1.
What is the InChIKey of N-[1-[2-(2,4-difluorophenyl)phenyl]ethyl]-3-methoxybenzenesulfonamide?
The InChIKey is VXFQXJQMFRVKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2NO3S/c1-14(24-28(25,26)17-7-5-6-16(13-17)27-2)18-8-3-4-9-19(18)20-11-10-15(22)12-21(20)23/h3-14,24H,1-2H3.
What are the key properties of N-[1-[2-(2,4-difluorophenyl)phenyl]ethyl]-3-methoxybenzenesulfonamide?
N-[1-[2-(2,4-difluorophenyl)phenyl]ethyl]-3-methoxybenzenesulfonamide has a molecular weight of 403.45 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,4-difluorophenyl)phenyl]ethyl]-3-methoxybenzenesulfonamide is sourced from PubChem (CID 22482284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).