N-(5-acetamido-2-chlorophenyl)-4-(trifluoromethylsulfonyl)benzamide

C16H12ClF3N2O4S — CID 55916990

IUPACN-(5-acetamido-2-chlorophenyl)-4-(trifluoromethylsulfonyl)benzamide
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)c1
InChIInChI=1S/C16H12ClF3N2O4S/c1-9(23)21-11-4-7-13(17)14(8-11)22-15(24)10-2-5-12(6-3-10)27(25,26)16(18,19)20/h2-8H,1H3,(H,21,23)(H,22,24)
InChIKeyGTDFLPIRCVZBJN-UHFFFAOYSA-N
MW420.80 g/mol
LogP3.84
Rot. Bonds4

About N-(5-acetamido-2-chlorophenyl)-4-(trifluoromethylsulfonyl)benzamide

N-(5-acetamido-2-chlorophenyl)-4-(trifluoromethylsulfonyl)benzamide (PubChem CID 55916990) has the molecular formula C16H12ClF3N2O4S and a molecular weight of 420.80 g/mol. Its IUPAC name is N-(5-acetamido-2-chlorophenyl)-4-(trifluoromethylsulfonyl)benzamide.

Molecular Properties

Compound NameN-(5-acetamido-2-chlorophenyl)-4-(trifluoromethylsulfonyl)benzamide
PubChem CID55916990
Molecular FormulaC16H12ClF3N2O4S
Molecular Weight420.80 g/mol
Exact Mass420.02
IUPAC NameN-(5-acetamido-2-chlorophenyl)-4-(trifluoromethylsulfonyl)benzamide
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)c1
InChIInChI=1S/C16H12ClF3N2O4S/c1-9(23)21-11-4-7-13(17)14(8-11)22-15(24)10-2-5-12(6-3-10)27(25,26)16(18,19)20/h2-8H,1H3,(H,21,23)(H,22,24)
InChIKeyGTDFLPIRCVZBJN-UHFFFAOYSA-N
XLogP3.84
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.80
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetamido-2-chlorophenyl)-4-(benzenesulfonamido)benzamide
CID 55981241
N-(5-acetamido-2-chlorophenyl)-4-nitrobenzamide
CID 47064408
N-(4-acetylphenyl)-4-(trifluoromethylsulfonyl)benzamide
CID 46568918
N-(5-acetamido-2-chlorophenyl)-3-(cyclopropylsulfamoyl)benzamide
CID 39851862
3-[(4-acetamidobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 38957858
N-(5-acetamido-2-chlorophenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide
CID 59633084
N-(5-acetamido-2-chlorophenyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 55980726
4-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-chloro-5-(propanoylamino)phenyl]benzamide
CID 55799423
N-(5-acetamido-2-chlorophenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 55917241
methyl 4-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 54787072
N-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 169373284
N-(4-acetamidophenyl)-4-chloro-3-(methanesulfonamido)benzamide
CID 49013931

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-chlorophenyl)-4-(trifluoromethylsulfonyl)benzamide?
The IUPAC name of N-(5-acetamido-2-chlorophenyl)-4-(trifluoromethylsulfonyl)benzamide (CID 55916990) is N-(5-acetamido-2-chlorophenyl)-4-(trifluoromethylsulfonyl)benzamide.
What is the SMILES notation for N-(5-acetamido-2-chlorophenyl)-4-(trifluoromethylsulfonyl)benzamide?
The canonical SMILES for N-(5-acetamido-2-chlorophenyl)-4-(trifluoromethylsulfonyl)benzamide is CC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)c1.
What is the InChIKey of N-(5-acetamido-2-chlorophenyl)-4-(trifluoromethylsulfonyl)benzamide?
The InChIKey is GTDFLPIRCVZBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N2O4S/c1-9(23)21-11-4-7-13(17)14(8-11)22-15(24)10-2-5-12(6-3-10)27(25,26)16(18,19)20/h2-8H,1H3,(H,21,23)(H,22,24).
What are the key properties of N-(5-acetamido-2-chlorophenyl)-4-(trifluoromethylsulfonyl)benzamide?
N-(5-acetamido-2-chlorophenyl)-4-(trifluoromethylsulfonyl)benzamide has a molecular weight of 420.80 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-chlorophenyl)-4-(trifluoromethylsulfonyl)benzamide is sourced from PubChem (CID 55916990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).