4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N,N-dimethylbenzamide

C17H19FN2O3S — CID 41454674

IUPAC4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H19FN2O3S/c1-19(2)17(21)14-6-10-16(11-7-14)20(24(3,22)23)12-13-4-8-15(18)9-5-13/h4-11H,12H2,1-3H3
InChIKeyQFWITZVQDYFAAP-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.49
Rot. Bonds5

About 4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N,N-dimethylbenzamide

4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N,N-dimethylbenzamide (PubChem CID 41454674) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N,N-dimethylbenzamide
PubChem CID41454674
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC Name4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H19FN2O3S/c1-19(2)17(21)14-6-10-16(11-7-14)20(24(3,22)23)12-13-4-8-15(18)9-5-13/h4-11H,12H2,1-3H3
InChIKeyQFWITZVQDYFAAP-UHFFFAOYSA-N
XLogP2.49
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 23912821
N-tert-butyl-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 53282591
N-[(4-aminophenyl)methyl]-N-(4-fluorophenyl)methanesulfonamide
CID 100618000
4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-pentylbenzamide
CID 19062205
N-(2,4-dimethylpentan-3-yl)-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 53282646
3-[benzyl-(4-fluorophenyl)sulfamoyl]-4-chloro-N,N-dimethylbenzamide
CID 43002771
N-[1-(4-ethylphenyl)ethyl]-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 133261991
4-[(3,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 53287344
4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(4-phenylbutan-2-yl)benzamide
CID 19062213
4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(3-methoxyphenyl)benzamide
CID 53282493
N-(2,4-difluorophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 1290601
2-[[4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzoyl]amino]-N-(3-methoxypropyl)benzamide
CID 19062210

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N,N-dimethylbenzamide (CID 41454674) is 4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N,N-dimethylbenzamide?
The InChIKey is QFWITZVQDYFAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-19(2)17(21)14-6-10-16(11-7-14)20(24(3,22)23)12-13-4-8-15(18)9-5-13/h4-11H,12H2,1-3H3.
What are the key properties of 4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N,N-dimethylbenzamide?
4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N,N-dimethylbenzamide has a molecular weight of 350.42 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 41454674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).