3-acetamido-N-methylsulfonyl-5-(trifluoromethyl)benzamide

C11H11F3N2O4S — CID 154810388

IUPAC3-acetamido-N-methylsulfonyl-5-(trifluoromethyl)benzamide
SMILESCC(=O)Nc1cc(C(=O)NS(C)(=O)=O)cc(C(F)(F)F)c1
InChIInChI=1S/C11H11F3N2O4S/c1-6(17)15-9-4-7(10(18)16-21(2,19)20)3-8(5-9)11(12,13)14/h3-5H,1-2H3,(H,15,17)(H,16,18)
InChIKeyJLOGEBKVWNURMX-UHFFFAOYSA-N
MW324.28 g/mol
LogP1.35
Rot. Bonds3

About 3-acetamido-N-methylsulfonyl-5-(trifluoromethyl)benzamide

3-acetamido-N-methylsulfonyl-5-(trifluoromethyl)benzamide (PubChem CID 154810388) has the molecular formula C11H11F3N2O4S and a molecular weight of 324.28 g/mol. Its IUPAC name is 3-acetamido-N-methylsulfonyl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-acetamido-N-methylsulfonyl-5-(trifluoromethyl)benzamide
PubChem CID154810388
Molecular FormulaC11H11F3N2O4S
Molecular Weight324.28 g/mol
Exact Mass324.04
IUPAC Name3-acetamido-N-methylsulfonyl-5-(trifluoromethyl)benzamide
SMILESCC(=O)Nc1cc(C(=O)NS(C)(=O)=O)cc(C(F)(F)F)c1
InChIInChI=1S/C11H11F3N2O4S/c1-6(17)15-9-4-7(10(18)16-21(2,19)20)3-8(5-9)11(12,13)14/h3-5H,1-2H3,(H,15,17)(H,16,18)
InChIKeyJLOGEBKVWNURMX-UHFFFAOYSA-N
XLogP1.35
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methylsulfonyl-3-(trifluoromethyl)benzamide
CID 47232687
N-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide
CID 4842174
N-[3-[[carbamoyl(methyl)amino]carbamoyl]-5-(trifluoromethyl)phenyl]acetamide
CID 75398204
3-acetamido-N-(2-amino-2-methylpropyl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 119628226
4-[[3-acetamido-5-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 120535032
3-acetamido-N-[[4-(methylaminomethyl)phenyl]methyl]-5-(trifluoromethyl)benzamide;hydrochloride
CID 91645432
3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 119457403
5-[[3,5-bis(trifluoromethyl)benzoyl]amino]benzene-1,3-dicarboxylic acid
CID 45428652
N-[3-formyl-5-(trifluoromethyl)phenyl]acetamide
CID 59569810
4-[[[3-acetamido-5-(trifluoromethyl)benzoyl]amino]methyl]oxane-4-carboxylic acid
CID 120543405
3-acetamido-N-[2-(aminomethyl)cyclopentyl]-5-(trifluoromethyl)benzamide
CID 119602942
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-methylsulfonyl-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-acetamido-N-methylsulfonyl-5-(trifluoromethyl)benzamide (CID 154810388) is 3-acetamido-N-methylsulfonyl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-acetamido-N-methylsulfonyl-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-acetamido-N-methylsulfonyl-5-(trifluoromethyl)benzamide is CC(=O)Nc1cc(C(=O)NS(C)(=O)=O)cc(C(F)(F)F)c1.
What is the InChIKey of 3-acetamido-N-methylsulfonyl-5-(trifluoromethyl)benzamide?
The InChIKey is JLOGEBKVWNURMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O4S/c1-6(17)15-9-4-7(10(18)16-21(2,19)20)3-8(5-9)11(12,13)14/h3-5H,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 3-acetamido-N-methylsulfonyl-5-(trifluoromethyl)benzamide?
3-acetamido-N-methylsulfonyl-5-(trifluoromethyl)benzamide has a molecular weight of 324.28 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-methylsulfonyl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 154810388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).