4-[[4-(difluoromethylsulfonyl)phenyl]methoxy]-N,N-dimethylbenzamide

C17H17F2NO4S — CID 78880908

IUPAC4-[[4-(difluoromethylsulfonyl)phenyl]methoxy]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(OCc2ccc(S(=O)(=O)C(F)F)cc2)cc1
InChIInChI=1S/C17H17F2NO4S/c1-20(2)16(21)13-5-7-14(8-6-13)24-11-12-3-9-15(10-4-12)25(22,23)17(18)19/h3-10,17H,11H2,1-2H3
InChIKeyHEACMVOHYFWWHA-UHFFFAOYSA-N
MW369.39 g/mol
LogP2.96
Rot. Bonds6

About 4-[[4-(difluoromethylsulfonyl)phenyl]methoxy]-N,N-dimethylbenzamide

4-[[4-(difluoromethylsulfonyl)phenyl]methoxy]-N,N-dimethylbenzamide (PubChem CID 78880908) has the molecular formula C17H17F2NO4S and a molecular weight of 369.39 g/mol. Its IUPAC name is 4-[[4-(difluoromethylsulfonyl)phenyl]methoxy]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[4-(difluoromethylsulfonyl)phenyl]methoxy]-N,N-dimethylbenzamide
PubChem CID78880908
Molecular FormulaC17H17F2NO4S
Molecular Weight369.39 g/mol
Exact Mass369.08
IUPAC Name4-[[4-(difluoromethylsulfonyl)phenyl]methoxy]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(OCc2ccc(S(=O)(=O)C(F)F)cc2)cc1
InChIInChI=1S/C17H17F2NO4S/c1-20(2)16(21)13-5-7-14(8-6-13)24-11-12-3-9-15(10-4-12)25(22,23)17(18)19/h3-10,17H,11H2,1-2H3
InChIKeyHEACMVOHYFWWHA-UHFFFAOYSA-N
XLogP2.96
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[[4-(difluoromethylsulfonyl)phenyl]methoxy]-N,N-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-4-[(4-methylphenoxy)methyl]benzamide
CID 86978503
4-[[4-[fluoro(hydroxy)amino]oxyphenoxy]methyl]-N,N-dimethylbenzamide
CID 177004804
2-[[4-(difluoromethylsulfonyl)benzoyl]-methylamino]propanoic acid
CID 119359231
4-(difluoromethylsulfonyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide
CID 86898286
2-[[4-(difluoromethylsulfonyl)phenyl]methoxy]-4-methylbenzamide
CID 78833008
3-[[4-[[3-(dimethylcarbamoyl)phenoxy]methyl]phenyl]methoxy]-N,N-dimethylbenzamide
CID 167758770
1-[4-[[4-[(4-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 10619405
N,N-dimethyl-4-[[[N'-methyl-N-[[4-(phenoxymethyl)phenyl]methyl]carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111874948
4-(difluoromethylsulfonyl)-N-[(4-methylphenyl)methyl]benzamide
CID 2671565
2-[4-(difluoromethylsulfonyl)phenoxy]ethanamine
CID 62349233
N,N-dimethyl-4-(2-phenoxyethoxy)benzamide
CID 28639806
N-methyl-4-propan-2-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 55761591

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(difluoromethylsulfonyl)phenyl]methoxy]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[4-(difluoromethylsulfonyl)phenyl]methoxy]-N,N-dimethylbenzamide (CID 78880908) is 4-[[4-(difluoromethylsulfonyl)phenyl]methoxy]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[4-(difluoromethylsulfonyl)phenyl]methoxy]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[4-(difluoromethylsulfonyl)phenyl]methoxy]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(OCc2ccc(S(=O)(=O)C(F)F)cc2)cc1.
What is the InChIKey of 4-[[4-(difluoromethylsulfonyl)phenyl]methoxy]-N,N-dimethylbenzamide?
The InChIKey is HEACMVOHYFWWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO4S/c1-20(2)16(21)13-5-7-14(8-6-13)24-11-12-3-9-15(10-4-12)25(22,23)17(18)19/h3-10,17H,11H2,1-2H3.
What are the key properties of 4-[[4-(difluoromethylsulfonyl)phenyl]methoxy]-N,N-dimethylbenzamide?
4-[[4-(difluoromethylsulfonyl)phenyl]methoxy]-N,N-dimethylbenzamide has a molecular weight of 369.39 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(difluoromethylsulfonyl)phenyl]methoxy]-N,N-dimethylbenzamide is sourced from PubChem (CID 78880908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).