N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide

C22H19ClF3N3O3S — CID 16660626

IUPACN-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(NC(=O)Cc2ccc(C(F)(F)F)nc2)cc1
InChIInChI=1S/C22H19ClF3N3O3S/c1-33(31,32)29(14-16-4-2-3-5-19(16)23)18-9-7-17(8-10-18)28-21(30)12-15-6-11-20(27-13-15)22(24,25)26/h2-11,13H,12,14H2,1H3,(H,28,30)
InChIKeyZEVZWQFMWKYPLH-UHFFFAOYSA-N
MW497.93 g/mol
LogP4.90
Rot. Bonds7

About N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide

N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 16660626) has the molecular formula C22H19ClF3N3O3S and a molecular weight of 497.93 g/mol. Its IUPAC name is N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
PubChem CID16660626
Molecular FormulaC22H19ClF3N3O3S
Molecular Weight497.93 g/mol
Exact Mass497.08
IUPAC NameN-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(NC(=O)Cc2ccc(C(F)(F)F)nc2)cc1
InChIInChI=1S/C22H19ClF3N3O3S/c1-33(31,32)29(14-16-4-2-3-5-19(16)23)18-9-7-17(8-10-18)28-21(30)12-15-6-11-20(27-13-15)22(24,25)26/h2-11,13H,12,14H2,1H3,(H,28,30)
InChIKeyZEVZWQFMWKYPLH-UHFFFAOYSA-N
XLogP4.90
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.93
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 69208048
N-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]formamide
CID 87726081
ethyl 4-[[2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetyl]amino]benzoate
CID 30130866
N-[4-[(2-methylphenyl)methyl-methylsulfonylamino]phenyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]formamide
CID 87725947
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide
CID 99941660
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[(2-chlorophenyl)methyl-methylsulfonylamino]benzamide
CID 21372805
4-[(3-chlorophenyl)methyl-methylsulfonylamino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
CID 140515248
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(4-phenoxyphenyl)benzamide
CID 28589773
2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 30129863
N-(2-chlorophenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30130762
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 43882178
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 30128970

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
The IUPAC name of N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide (CID 16660626) is N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
The canonical SMILES for N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide is CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(NC(=O)Cc2ccc(C(F)(F)F)nc2)cc1.
What is the InChIKey of N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
The InChIKey is ZEVZWQFMWKYPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF3N3O3S/c1-33(31,32)29(14-16-4-2-3-5-19(16)23)18-9-7-17(8-10-18)28-21(30)12-15-6-11-20(27-13-15)22(24,25)26/h2-11,13H,12,14H2,1H3,(H,28,30).
What are the key properties of N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 497.93 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 16660626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).