1-(4-fluorophenyl)-N-[(2-methoxy-4,6-dimethylphenyl)methyl]methanesulfonamide

C17H20FNO3S — CID 110784907

IUPAC1-(4-fluorophenyl)-N-[(2-methoxy-4,6-dimethylphenyl)methyl]methanesulfonamide
SMILESCOc1cc(C)cc(C)c1CNS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C17H20FNO3S/c1-12-8-13(2)16(17(9-12)22-3)10-19-23(20,21)11-14-4-6-15(18)7-5-14/h4-9,19H,10-11H2,1-3H3
InChIKeyROVGETZPXRTBLU-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.07
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[(2-methoxy-4,6-dimethylphenyl)methyl]methanesulfonamide

1-(4-fluorophenyl)-N-[(2-methoxy-4,6-dimethylphenyl)methyl]methanesulfonamide (PubChem CID 110784907) has the molecular formula C17H20FNO3S and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(2-methoxy-4,6-dimethylphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(2-methoxy-4,6-dimethylphenyl)methyl]methanesulfonamide
PubChem CID110784907
Molecular FormulaC17H20FNO3S
Molecular Weight337.42 g/mol
Exact Mass337.11
IUPAC Name1-(4-fluorophenyl)-N-[(2-methoxy-4,6-dimethylphenyl)methyl]methanesulfonamide
SMILESCOc1cc(C)cc(C)c1CNS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C17H20FNO3S/c1-12-8-13(2)16(17(9-12)22-3)10-19-23(20,21)11-14-4-6-15(18)7-5-14/h4-9,19H,10-11H2,1-3H3
InChIKeyROVGETZPXRTBLU-UHFFFAOYSA-N
XLogP3.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide
CID 110779627
N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide
CID 110780743
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 30400180
N-[(4-methoxy-3-methylphenyl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110779823
1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide
CID 51339544
N-[(4-fluorophenyl)methylsulfonyl]-3,5-dimethoxy-4-methylbenzamide
CID 51119346
2-(4-fluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone
CID 106679903
N-(3-amino-4-methoxyphenyl)-1-(4-fluorophenyl)methanesulfonamide
CID 43604676
1-(4-fluorophenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
CID 110324844
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 110326439
N-[(4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
CID 106680359
N-[(4-fluorophenyl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 38005786

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(2-methoxy-4,6-dimethylphenyl)methyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(2-methoxy-4,6-dimethylphenyl)methyl]methanesulfonamide (CID 110784907) is 1-(4-fluorophenyl)-N-[(2-methoxy-4,6-dimethylphenyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(2-methoxy-4,6-dimethylphenyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(2-methoxy-4,6-dimethylphenyl)methyl]methanesulfonamide is COc1cc(C)cc(C)c1CNS(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(2-methoxy-4,6-dimethylphenyl)methyl]methanesulfonamide?
The InChIKey is ROVGETZPXRTBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO3S/c1-12-8-13(2)16(17(9-12)22-3)10-19-23(20,21)11-14-4-6-15(18)7-5-14/h4-9,19H,10-11H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-N-[(2-methoxy-4,6-dimethylphenyl)methyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[(2-methoxy-4,6-dimethylphenyl)methyl]methanesulfonamide has a molecular weight of 337.42 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(2-methoxy-4,6-dimethylphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 110784907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).