4-(difluoromethylsulfonyl)-N-[2-(ethoxymethyl)phenyl]benzamide

C17H17F2NO4S — CID 86821736

IUPAC4-(difluoromethylsulfonyl)-N-[2-(ethoxymethyl)phenyl]benzamide
SMILESCCOCc1ccccc1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C17H17F2NO4S/c1-2-24-11-13-5-3-4-6-15(13)20-16(21)12-7-9-14(10-8-12)25(22,23)17(18)19/h3-10,17H,2,11H2,1H3,(H,20,21)
InChIKeyQJOKBHNDVQRARJ-UHFFFAOYSA-N
MW369.39 g/mol
LogP3.47
Rot. Bonds7

About 4-(difluoromethylsulfonyl)-N-[2-(ethoxymethyl)phenyl]benzamide

4-(difluoromethylsulfonyl)-N-[2-(ethoxymethyl)phenyl]benzamide (PubChem CID 86821736) has the molecular formula C17H17F2NO4S and a molecular weight of 369.39 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-[2-(ethoxymethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-[2-(ethoxymethyl)phenyl]benzamide
PubChem CID86821736
Molecular FormulaC17H17F2NO4S
Molecular Weight369.39 g/mol
Exact Mass369.08
IUPAC Name4-(difluoromethylsulfonyl)-N-[2-(ethoxymethyl)phenyl]benzamide
SMILESCCOCc1ccccc1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C17H17F2NO4S/c1-2-24-11-13-5-3-4-6-15(13)20-16(21)12-7-9-14(10-8-12)25(22,23)17(18)19/h3-10,17H,2,11H2,1H3,(H,20,21)
InChIKeyQJOKBHNDVQRARJ-UHFFFAOYSA-N
XLogP3.47
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethylsulfonyl)-N-(2-ethoxyphenyl)benzamide
CID 2590897
N-(2-acetylphenyl)-4-(difluoromethylsulfonyl)benzamide
CID 8749517
4-(difluoromethylsulfonyl)-N-(2-fluorophenyl)benzamide
CID 8780386
N-(2-bromophenyl)-4-(difluoromethylsulfonyl)benzamide
CID 8713756
N-[2-(ethoxymethyl)phenyl]-3,4-dimethylbenzamide
CID 86821684
3-amino-N-[2-(ethoxymethyl)phenyl]-4-methylbenzamide
CID 43695797
4-(difluoromethylsulfonyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55584493
N-[2-(2-chlorophenoxy)phenyl]-4-(difluoromethylsulfonyl)benzamide
CID 24514279
N-[2-(ethoxymethyl)phenyl]-2-methoxypropanamide
CID 112686280
3-(chloromethyl)-N-[2-(ethoxymethyl)phenyl]benzamide
CID 43695560
(2S)-2-(benzenesulfonamido)-N-[2-(ethoxymethyl)phenyl]propanamide
CID 86826290
4-(difluoromethylsulfonyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 26905324

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-[2-(ethoxymethyl)phenyl]benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-[2-(ethoxymethyl)phenyl]benzamide (CID 86821736) is 4-(difluoromethylsulfonyl)-N-[2-(ethoxymethyl)phenyl]benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-[2-(ethoxymethyl)phenyl]benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-[2-(ethoxymethyl)phenyl]benzamide is CCOCc1ccccc1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-[2-(ethoxymethyl)phenyl]benzamide?
The InChIKey is QJOKBHNDVQRARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO4S/c1-2-24-11-13-5-3-4-6-15(13)20-16(21)12-7-9-14(10-8-12)25(22,23)17(18)19/h3-10,17H,2,11H2,1H3,(H,20,21).
What are the key properties of 4-(difluoromethylsulfonyl)-N-[2-(ethoxymethyl)phenyl]benzamide?
4-(difluoromethylsulfonyl)-N-[2-(ethoxymethyl)phenyl]benzamide has a molecular weight of 369.39 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-[2-(ethoxymethyl)phenyl]benzamide is sourced from PubChem (CID 86821736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).