2-[benzenesulfonyl(methyl)amino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide

C17H16F4N2O3S — CID 46474679

IUPAC2-[benzenesulfonyl(methyl)amino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCN(CC(=O)NCc1ccc(F)cc1C(F)(F)F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H16F4N2O3S/c1-23(27(25,26)14-5-3-2-4-6-14)11-16(24)22-10-12-7-8-13(18)9-15(12)17(19,20)21/h2-9H,10-11H2,1H3,(H,22,24)
InChIKeyFTDQEHGBQSGHDC-UHFFFAOYSA-N
MW404.39 g/mol
LogP2.78
Rot. Bonds6

About 2-[benzenesulfonyl(methyl)amino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide

2-[benzenesulfonyl(methyl)amino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 46474679) has the molecular formula C17H16F4N2O3S and a molecular weight of 404.39 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID46474679
Molecular FormulaC17H16F4N2O3S
Molecular Weight404.39 g/mol
Exact Mass404.08
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCN(CC(=O)NCc1ccc(F)cc1C(F)(F)F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H16F4N2O3S/c1-23(27(25,26)14-5-3-2-4-6-14)11-16(24)22-10-12-7-8-13(18)9-15(12)17(19,20)21/h2-9H,10-11H2,1H3,(H,22,24)
InChIKeyFTDQEHGBQSGHDC-UHFFFAOYSA-N
XLogP2.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzenesulfonyl(methyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 45372832
2-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
CID 60509025
2-[benzyl(furan-2-ylmethyl)amino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
CID 60501421
2-(2,6-dimethylphenoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
CID 55705908
1-(benzenesulfonyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 46485716
1-[3-(benzenesulfonyl)propyl]-3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylguanidine
CID 111889573
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 1210701
1-[3-(benzenesulfonyl)propyl]-3-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111889572
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 92511378
N-benzyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 966803
N-[(2-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 2173194
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 28561266

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide (CID 46474679) is 2-[benzenesulfonyl(methyl)amino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide is CN(CC(=O)NCc1ccc(F)cc1C(F)(F)F)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is FTDQEHGBQSGHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N2O3S/c1-23(27(25,26)14-5-3-2-4-6-14)11-16(24)22-10-12-7-8-13(18)9-15(12)17(19,20)21/h2-9H,10-11H2,1H3,(H,22,24).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide?
2-[benzenesulfonyl(methyl)amino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 404.39 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 46474679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).