2-[benzylsulfonyl(methyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide

C17H16ClF3N2O3S — CID 26528259

IUPAC2-[benzylsulfonyl(methyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C17H16ClF3N2O3S/c1-23(27(25,26)11-12-5-3-2-4-6-12)10-16(24)22-13-7-8-15(18)14(9-13)17(19,20)21/h2-9H,10-11H2,1H3,(H,22,24)
InChIKeyXAGKSWRLFGJZTM-UHFFFAOYSA-N
MW420.84 g/mol
LogP3.76
Rot. Bonds6

About 2-[benzylsulfonyl(methyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide

2-[benzylsulfonyl(methyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 26528259) has the molecular formula C17H16ClF3N2O3S and a molecular weight of 420.84 g/mol. Its IUPAC name is 2-[benzylsulfonyl(methyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[benzylsulfonyl(methyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
PubChem CID26528259
Molecular FormulaC17H16ClF3N2O3S
Molecular Weight420.84 g/mol
Exact Mass420.05
IUPAC Name2-[benzylsulfonyl(methyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C17H16ClF3N2O3S/c1-23(27(25,26)11-12-5-3-2-4-6-12)10-16(24)22-13-7-8-15(18)14(9-13)17(19,20)21/h2-9H,10-11H2,1H3,(H,22,24)
InChIKeyXAGKSWRLFGJZTM-UHFFFAOYSA-N
XLogP3.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.84
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(propan-2-yl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 109005704
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 1021379
2-[(3-acetylphenyl)sulfonyl-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 17396453
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-2-ethylsulfonyl-N-methylbenzamide
CID 55383063
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 124538005
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide
CID 26941957
N-benzyl-N'-[4-chloro-3-(trifluoromethyl)phenyl]propanediamide
CID 108945335
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-ethoxyphenyl)sulfonyl-methylamino]acetamide
CID 19798403
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2,6-dimethylmorpholin-4-yl)sulfonyl-methylamino]acetamide
CID 42936462
2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 126064719
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 1339520
N-(2-chlorophenyl)-3-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]propanamide
CID 38354927

Frequently Asked Questions

What is the IUPAC name of 2-[benzylsulfonyl(methyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[benzylsulfonyl(methyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (CID 26528259) is 2-[benzylsulfonyl(methyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[benzylsulfonyl(methyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[benzylsulfonyl(methyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of 2-[benzylsulfonyl(methyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XAGKSWRLFGJZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O3S/c1-23(27(25,26)11-12-5-3-2-4-6-12)10-16(24)22-13-7-8-15(18)14(9-13)17(19,20)21/h2-9H,10-11H2,1H3,(H,22,24).
What are the key properties of 2-[benzylsulfonyl(methyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
2-[benzylsulfonyl(methyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 420.84 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzylsulfonyl(methyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 26528259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).