3-acetyl-N-[4-(trifluoromethylsulfonylamino)phenyl]benzamide

C16H13F3N2O4S — CID 154860777

IUPAC3-acetyl-N-[4-(trifluoromethylsulfonylamino)phenyl]benzamide
SMILESCC(=O)c1cccc(C(=O)Nc2ccc(NS(=O)(=O)C(F)(F)F)cc2)c1
InChIInChI=1S/C16H13F3N2O4S/c1-10(22)11-3-2-4-12(9-11)15(23)20-13-5-7-14(8-6-13)21-26(24,25)16(17,18)19/h2-9,21H,1H3,(H,20,23)
InChIKeyUNIWDUQLCLDEPN-UHFFFAOYSA-N
MW386.35 g/mol
LogP3.40
Rot. Bonds5

About 3-acetyl-N-[4-(trifluoromethylsulfonylamino)phenyl]benzamide

3-acetyl-N-[4-(trifluoromethylsulfonylamino)phenyl]benzamide (PubChem CID 154860777) has the molecular formula C16H13F3N2O4S and a molecular weight of 386.35 g/mol. Its IUPAC name is 3-acetyl-N-[4-(trifluoromethylsulfonylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-acetyl-N-[4-(trifluoromethylsulfonylamino)phenyl]benzamide
PubChem CID154860777
Molecular FormulaC16H13F3N2O4S
Molecular Weight386.35 g/mol
Exact Mass386.05
IUPAC Name3-acetyl-N-[4-(trifluoromethylsulfonylamino)phenyl]benzamide
SMILESCC(=O)c1cccc(C(=O)Nc2ccc(NS(=O)(=O)C(F)(F)F)cc2)c1
InChIInChI=1S/C16H13F3N2O4S/c1-10(22)11-3-2-4-12(9-11)15(23)20-13-5-7-14(8-6-13)21-26(24,25)16(17,18)19/h2-9,21H,1H3,(H,20,23)
InChIKeyUNIWDUQLCLDEPN-UHFFFAOYSA-N
XLogP3.40
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.35
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-acetylbenzoyl)amino]benzenesulfonic acid;deuteride
CID 158960511
4-[[3-[(3-acetylphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 1355824
N-[3-fluoro-4-(trifluoromethylsulfonylamino)phenyl]-3-(trifluoromethyl)benzamide
CID 155550237
N-(3-acetylphenyl)-4-(trifluoromethyl)benzamide
CID 7770720
N-(4-acetylphenyl)-3-[(4-chlorophenyl)sulfamoyl]benzamide
CID 26663686
N-(4-butylphenyl)-4-(trifluoromethylsulfonylamino)benzamide
CID 20630469
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546
3-acetyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970291
3-acetamido-N-[4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide
CID 2114640
N-[4-(3-acetylanilino)phenyl]benzamide
CID 112988119
N-(4-acetylphenyl)-4-(trifluoromethylsulfonyl)benzamide
CID 46568918
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[4-(trifluoromethylsulfonylamino)phenyl]benzamide?
The IUPAC name of 3-acetyl-N-[4-(trifluoromethylsulfonylamino)phenyl]benzamide (CID 154860777) is 3-acetyl-N-[4-(trifluoromethylsulfonylamino)phenyl]benzamide.
What is the SMILES notation for 3-acetyl-N-[4-(trifluoromethylsulfonylamino)phenyl]benzamide?
The canonical SMILES for 3-acetyl-N-[4-(trifluoromethylsulfonylamino)phenyl]benzamide is CC(=O)c1cccc(C(=O)Nc2ccc(NS(=O)(=O)C(F)(F)F)cc2)c1.
What is the InChIKey of 3-acetyl-N-[4-(trifluoromethylsulfonylamino)phenyl]benzamide?
The InChIKey is UNIWDUQLCLDEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O4S/c1-10(22)11-3-2-4-12(9-11)15(23)20-13-5-7-14(8-6-13)21-26(24,25)16(17,18)19/h2-9,21H,1H3,(H,20,23).
What are the key properties of 3-acetyl-N-[4-(trifluoromethylsulfonylamino)phenyl]benzamide?
3-acetyl-N-[4-(trifluoromethylsulfonylamino)phenyl]benzamide has a molecular weight of 386.35 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[4-(trifluoromethylsulfonylamino)phenyl]benzamide is sourced from PubChem (CID 154860777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).