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

C16H13F2NO4S — CID 8749517

IUPACN-(2-acetylphenyl)-4-(difluoromethylsulfonyl)benzamide
SMILESCC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C16H13F2NO4S/c1-10(20)13-4-2-3-5-14(13)19-15(21)11-6-8-12(9-7-11)24(22,23)16(17)18/h2-9,16H,1H3,(H,19,21)
InChIKeyZTTGDOQWPIKPNR-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.14
Rot. Bonds5

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

N-(2-acetylphenyl)-4-(difluoromethylsulfonyl)benzamide (PubChem CID 8749517) has the molecular formula C16H13F2NO4S and a molecular weight of 353.35 g/mol. Its IUPAC name is N-(2-acetylphenyl)-4-(difluoromethylsulfonyl)benzamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-4-(difluoromethylsulfonyl)benzamide
PubChem CID8749517
Molecular FormulaC16H13F2NO4S
Molecular Weight353.35 g/mol
Exact Mass353.05
IUPAC NameN-(2-acetylphenyl)-4-(difluoromethylsulfonyl)benzamide
SMILESCC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C16H13F2NO4S/c1-10(20)13-4-2-3-5-14(13)19-15(21)11-6-8-12(9-7-11)24(22,23)16(17)18/h2-9,16H,1H3,(H,19,21)
InChIKeyZTTGDOQWPIKPNR-UHFFFAOYSA-N
XLogP3.14
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethylsulfonyl)-N-(2-fluorophenyl)benzamide
CID 8780386
N-(2-bromophenyl)-4-(difluoromethylsulfonyl)benzamide
CID 8713756
N-(2-acetylphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 16592625
4-(difluoromethylsulfonyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 26905324
4-acetamido-N-[4-(difluoromethylsulfonyl)phenyl]benzamide
CID 26898710
N-(2-acetylphenyl)-4-phenylbenzamide
CID 4799727
4-(difluoromethylsulfonyl)-N-[2-(ethoxymethyl)phenyl]benzamide
CID 86821736
4-(difluoromethylsulfonyl)-N-(2-ethoxyphenyl)benzamide
CID 2590897
4-(difluoromethylsulfonyl)-N-(3-hydroxyphenyl)benzamide
CID 78829368
N-(2-acetylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 26067648
N-[2-(2-chlorophenoxy)phenyl]-4-(difluoromethylsulfonyl)benzamide
CID 24514279
4-(difluoromethylsulfonyl)-N-(3-methylnaphthalen-1-yl)benzamide
CID 166369016

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-4-(difluoromethylsulfonyl)benzamide?
The IUPAC name of N-(2-acetylphenyl)-4-(difluoromethylsulfonyl)benzamide (CID 8749517) is N-(2-acetylphenyl)-4-(difluoromethylsulfonyl)benzamide.
What is the SMILES notation for N-(2-acetylphenyl)-4-(difluoromethylsulfonyl)benzamide?
The canonical SMILES for N-(2-acetylphenyl)-4-(difluoromethylsulfonyl)benzamide is CC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of N-(2-acetylphenyl)-4-(difluoromethylsulfonyl)benzamide?
The InChIKey is ZTTGDOQWPIKPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO4S/c1-10(20)13-4-2-3-5-14(13)19-15(21)11-6-8-12(9-7-11)24(22,23)16(17)18/h2-9,16H,1H3,(H,19,21).
What are the key properties of N-(2-acetylphenyl)-4-(difluoromethylsulfonyl)benzamide?
N-(2-acetylphenyl)-4-(difluoromethylsulfonyl)benzamide has a molecular weight of 353.35 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-4-(difluoromethylsulfonyl)benzamide is sourced from PubChem (CID 8749517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).