4-(difluoromethylsulfonyl)-N-(2-ethoxyphenyl)benzamide

C16H15F2NO4S — CID 2590897

IUPAC4-(difluoromethylsulfonyl)-N-(2-ethoxyphenyl)benzamide
SMILESCCOc1ccccc1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C16H15F2NO4S/c1-2-23-14-6-4-3-5-13(14)19-15(20)11-7-9-12(10-8-11)24(21,22)16(17)18/h3-10,16H,2H2,1H3,(H,19,20)
InChIKeyPKIIVEQBLKHZTR-UHFFFAOYSA-N
MW355.36 g/mol
LogP3.33
Rot. Bonds6

About 4-(difluoromethylsulfonyl)-N-(2-ethoxyphenyl)benzamide

4-(difluoromethylsulfonyl)-N-(2-ethoxyphenyl)benzamide (PubChem CID 2590897) has the molecular formula C16H15F2NO4S and a molecular weight of 355.36 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-(2-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-(2-ethoxyphenyl)benzamide
PubChem CID2590897
Molecular FormulaC16H15F2NO4S
Molecular Weight355.36 g/mol
Exact Mass355.07
IUPAC Name4-(difluoromethylsulfonyl)-N-(2-ethoxyphenyl)benzamide
SMILESCCOc1ccccc1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C16H15F2NO4S/c1-2-23-14-6-4-3-5-13(14)19-15(20)11-7-9-12(10-8-11)24(21,22)16(17)18/h3-10,16H,2H2,1H3,(H,19,20)
InChIKeyPKIIVEQBLKHZTR-UHFFFAOYSA-N
XLogP3.33
TPSA72.47 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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-(difluoromethylsulfonyl)benzoate
CID 2669887
4-(difluoromethylsulfonyl)-N-[2-(ethoxymethyl)phenyl]benzamide
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N-[2-(2-chlorophenoxy)phenyl]-4-(difluoromethylsulfonyl)benzamide
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4-(difluoromethylsulfonyl)-N-(2-fluorophenyl)benzamide
CID 8780386
4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 30843274
N-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide
CID 6456700
N-(2-acetylphenyl)-4-(difluoromethylsulfonyl)benzamide
CID 8749517
N-(2-bromophenyl)-4-(difluoromethylsulfonyl)benzamide
CID 8713756
N-(2-ethoxyphenyl)-4-formylbenzamide
CID 134025431
N-(2-ethoxyphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 650265
N-(2-ethoxyphenyl)-4-(trifluoromethoxy)benzamide
CID 7935075
4-(ethylsulfamoyl)-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 55990432

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-(2-ethoxyphenyl)benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-(2-ethoxyphenyl)benzamide (CID 2590897) is 4-(difluoromethylsulfonyl)-N-(2-ethoxyphenyl)benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-(2-ethoxyphenyl)benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-(2-ethoxyphenyl)benzamide is CCOc1ccccc1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-(2-ethoxyphenyl)benzamide?
The InChIKey is PKIIVEQBLKHZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO4S/c1-2-23-14-6-4-3-5-13(14)19-15(20)11-7-9-12(10-8-11)24(21,22)16(17)18/h3-10,16H,2H2,1H3,(H,19,20).
What are the key properties of 4-(difluoromethylsulfonyl)-N-(2-ethoxyphenyl)benzamide?
4-(difluoromethylsulfonyl)-N-(2-ethoxyphenyl)benzamide has a molecular weight of 355.36 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-(2-ethoxyphenyl)benzamide is sourced from PubChem (CID 2590897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).