2-[[4-(difluoromethylsulfonyl)phenyl]methoxy]-4-methylbenzamide

C16H15F2NO4S — CID 78833008

IUPAC2-[[4-(difluoromethylsulfonyl)phenyl]methoxy]-4-methylbenzamide
SMILESCc1ccc(C(N)=O)c(OCc2ccc(S(=O)(=O)C(F)F)cc2)c1
InChIInChI=1S/C16H15F2NO4S/c1-10-2-7-13(15(19)20)14(8-10)23-9-11-3-5-12(6-4-11)24(21,22)16(17)18/h2-8,16H,9H2,1H3,(H2,19,20)
InChIKeyGHBDTIXUPZFJLU-UHFFFAOYSA-N
MW355.36 g/mol
LogP2.67
Rot. Bonds6

About 2-[[4-(difluoromethylsulfonyl)phenyl]methoxy]-4-methylbenzamide

2-[[4-(difluoromethylsulfonyl)phenyl]methoxy]-4-methylbenzamide (PubChem CID 78833008) has the molecular formula C16H15F2NO4S and a molecular weight of 355.36 g/mol. Its IUPAC name is 2-[[4-(difluoromethylsulfonyl)phenyl]methoxy]-4-methylbenzamide.

Molecular Properties

Compound Name2-[[4-(difluoromethylsulfonyl)phenyl]methoxy]-4-methylbenzamide
PubChem CID78833008
Molecular FormulaC16H15F2NO4S
Molecular Weight355.36 g/mol
Exact Mass355.07
IUPAC Name2-[[4-(difluoromethylsulfonyl)phenyl]methoxy]-4-methylbenzamide
SMILESCc1ccc(C(N)=O)c(OCc2ccc(S(=O)(=O)C(F)F)cc2)c1
InChIInChI=1S/C16H15F2NO4S/c1-10-2-7-13(15(19)20)14(8-10)23-9-11-3-5-12(6-4-11)24(21,22)16(17)18/h2-8,16H,9H2,1H3,(H2,19,20)
InChIKeyGHBDTIXUPZFJLU-UHFFFAOYSA-N
XLogP2.67
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[(4-propoxyphenyl)methoxy]benzamide
CID 75396537
2-(2-aminoethoxy)-4-methylbenzamide
CID 62349382
2-(2-hydroxyethoxy)-4-methylbenzamide
CID 67742497
(3,4-dimethoxyphenyl)methyl 4-(difluoromethylsulfonyl)benzoate
CID 9096959
2-[(4-bromophenyl)methoxy]-4-methyl-N-(4-methylsulfonylphenyl)sulfonylbenzamide
CID 110161798
4-[[4-(difluoromethylsulfonyl)phenyl]methoxy]-N,N-dimethylbenzamide
CID 78880908
2-[4-(aminomethyl)phenoxy]-4-methylbenzamide
CID 106485646
1-[4-methyl-2-[(4-nitrophenyl)methoxy]phenyl]ethanone
CID 60701241
2-bromo-1-(4-methyl-2-phenylmethoxyphenyl)ethanone
CID 11370597
4-chloro-2-[(4-methylphenyl)methoxy]benzenecarbothioamide
CID 114323054
4-methyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide
CID 46681501
1-[4-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 55244186

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(difluoromethylsulfonyl)phenyl]methoxy]-4-methylbenzamide?
The IUPAC name of 2-[[4-(difluoromethylsulfonyl)phenyl]methoxy]-4-methylbenzamide (CID 78833008) is 2-[[4-(difluoromethylsulfonyl)phenyl]methoxy]-4-methylbenzamide.
What is the SMILES notation for 2-[[4-(difluoromethylsulfonyl)phenyl]methoxy]-4-methylbenzamide?
The canonical SMILES for 2-[[4-(difluoromethylsulfonyl)phenyl]methoxy]-4-methylbenzamide is Cc1ccc(C(N)=O)c(OCc2ccc(S(=O)(=O)C(F)F)cc2)c1.
What is the InChIKey of 2-[[4-(difluoromethylsulfonyl)phenyl]methoxy]-4-methylbenzamide?
The InChIKey is GHBDTIXUPZFJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO4S/c1-10-2-7-13(15(19)20)14(8-10)23-9-11-3-5-12(6-4-11)24(21,22)16(17)18/h2-8,16H,9H2,1H3,(H2,19,20).
What are the key properties of 2-[[4-(difluoromethylsulfonyl)phenyl]methoxy]-4-methylbenzamide?
2-[[4-(difluoromethylsulfonyl)phenyl]methoxy]-4-methylbenzamide has a molecular weight of 355.36 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(difluoromethylsulfonyl)phenyl]methoxy]-4-methylbenzamide is sourced from PubChem (CID 78833008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).