4-acetamido-N-[4-(difluoromethylsulfonyl)phenyl]benzamide

C16H14F2N2O4S — CID 26898710

IUPAC4-acetamido-N-[4-(difluoromethylsulfonyl)phenyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1
InChIInChI=1S/C16H14F2N2O4S/c1-10(21)19-12-4-2-11(3-5-12)15(22)20-13-6-8-14(9-7-13)25(23,24)16(17)18/h2-9,16H,1H3,(H,19,21)(H,20,22)
InChIKeyYIQWZGLGNCSJER-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.89
Rot. Bonds5

About 4-acetamido-N-[4-(difluoromethylsulfonyl)phenyl]benzamide

4-acetamido-N-[4-(difluoromethylsulfonyl)phenyl]benzamide (PubChem CID 26898710) has the molecular formula C16H14F2N2O4S and a molecular weight of 368.36 g/mol. Its IUPAC name is 4-acetamido-N-[4-(difluoromethylsulfonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[4-(difluoromethylsulfonyl)phenyl]benzamide
PubChem CID26898710
Molecular FormulaC16H14F2N2O4S
Molecular Weight368.36 g/mol
Exact Mass368.06
IUPAC Name4-acetamido-N-[4-(difluoromethylsulfonyl)phenyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1
InChIInChI=1S/C16H14F2N2O4S/c1-10(21)19-12-4-2-11(3-5-12)15(22)20-13-6-8-14(9-7-13)25(23,24)16(17)18/h2-9,16H,1H3,(H,19,21)(H,20,22)
InChIKeyYIQWZGLGNCSJER-UHFFFAOYSA-N
XLogP2.89
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethylsulfonyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 55471919
N-[4-[[4-(difluoromethylsulfonyl)phenyl]sulfamoyl]phenyl]acetamide
CID 2454469
N-[4-(difluoromethylsulfonyl)phenyl]-4-phenoxybenzamide
CID 26898694
4-acetamido-N-(4-sulfamoylphenyl)benzamide
CID 766030
N-[4-(difluoromethylsulfonyl)phenyl]-3,5-dimethoxybenzamide
CID 2671265
N-(2-acetylphenyl)-4-(difluoromethylsulfonyl)benzamide
CID 8749517
[2-(4-acetamidoanilino)-2-oxoethyl] 4-(difluoromethylsulfonyl)benzoate
CID 55310490
N-(4-acetylphenyl)-4-propan-2-ylsulfonylbenzamide
CID 41148685
N-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 27648936
4-(difluoromethylsulfonyl)-N-(3-hydroxyphenyl)benzamide
CID 78829368
4-(difluoromethylsulfonyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide
CID 86898286
4-(difluoromethylsulfonyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 24560241

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[4-(difluoromethylsulfonyl)phenyl]benzamide?
The IUPAC name of 4-acetamido-N-[4-(difluoromethylsulfonyl)phenyl]benzamide (CID 26898710) is 4-acetamido-N-[4-(difluoromethylsulfonyl)phenyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[4-(difluoromethylsulfonyl)phenyl]benzamide?
The canonical SMILES for 4-acetamido-N-[4-(difluoromethylsulfonyl)phenyl]benzamide is CC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1.
What is the InChIKey of 4-acetamido-N-[4-(difluoromethylsulfonyl)phenyl]benzamide?
The InChIKey is YIQWZGLGNCSJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O4S/c1-10(21)19-12-4-2-11(3-5-12)15(22)20-13-6-8-14(9-7-13)25(23,24)16(17)18/h2-9,16H,1H3,(H,19,21)(H,20,22).
What are the key properties of 4-acetamido-N-[4-(difluoromethylsulfonyl)phenyl]benzamide?
4-acetamido-N-[4-(difluoromethylsulfonyl)phenyl]benzamide has a molecular weight of 368.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[4-(difluoromethylsulfonyl)phenyl]benzamide is sourced from PubChem (CID 26898710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).