N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide

C16H18FNO4S — CID 110780743

IUPACN-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)Cc2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C16H18FNO4S/c1-21-15-8-5-13(16(9-15)22-2)10-18-23(19,20)11-12-3-6-14(17)7-4-12/h3-9,18H,10-11H2,1-2H3
InChIKeySJUYJFLAOBYYIR-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.46
Rot. Bonds7

About N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide

N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide (PubChem CID 110780743) has the molecular formula C16H18FNO4S and a molecular weight of 339.39 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide
PubChem CID110780743
Molecular FormulaC16H18FNO4S
Molecular Weight339.39 g/mol
Exact Mass339.09
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)Cc2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C16H18FNO4S/c1-21-15-8-5-13(16(9-15)22-2)10-18-23(19,20)11-12-3-6-14(17)7-4-12/h3-9,18H,10-11H2,1-2H3
InChIKeySJUYJFLAOBYYIR-UHFFFAOYSA-N
XLogP2.46
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(2,4-dimethoxyphenyl)methylsulfamoylmethyl]phenyl]methyl methanesulfonate
CID 86705334
1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide
CID 51339544
1-(4-fluorophenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
CID 110324844
N-[(2,5-dimethoxyphenyl)methyl]-1-phenylmethanesulfonamide
CID 31827805
2-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 27256771
ethyl (2S)-2-acetamido-3-[4-[(2,4-dimethoxyphenyl)methylsulfamoylmethyl]phenyl]propanoate
CID 11974799
1-(2,4-dimethoxyphenyl)-N-methylmethanesulfonamide
CID 165442745
1-(4-fluorophenyl)-N-[(2-methoxy-4,6-dimethylphenyl)methyl]methanesulfonamide
CID 110784907
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 3750289
N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 110780736
N-[(2,4-dimethoxyphenyl)methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 4657729
2-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)acetamide
CID 9400761

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide (CID 110780743) is N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide is COc1ccc(CNS(=O)(=O)Cc2ccc(F)cc2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide?
The InChIKey is SJUYJFLAOBYYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO4S/c1-21-15-8-5-13(16(9-15)22-2)10-18-23(19,20)11-12-3-6-14(17)7-4-12/h3-9,18H,10-11H2,1-2H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide?
N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide has a molecular weight of 339.39 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 110780743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).