2-(2,4-difluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide

C16H15F3N2O3S — CID 113156780

IUPAC2-(2,4-difluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccccc1F)c1ccc(F)cc1F
InChIInChI=1S/C16H15F3N2O3S/c1-25(23,24)21(15-7-6-12(17)8-14(15)19)10-16(22)20-9-11-4-2-3-5-13(11)18/h2-8H,9-10H2,1H3,(H,20,22)
InChIKeyWKSAXIHITSJVDW-UHFFFAOYSA-N
MW372.37 g/mol
LogP2.19
Rot. Bonds6

About 2-(2,4-difluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide

2-(2,4-difluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 113156780) has the molecular formula C16H15F3N2O3S and a molecular weight of 372.37 g/mol. Its IUPAC name is 2-(2,4-difluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID113156780
Molecular FormulaC16H15F3N2O3S
Molecular Weight372.37 g/mol
Exact Mass372.08
IUPAC Name2-(2,4-difluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccccc1F)c1ccc(F)cc1F
InChIInChI=1S/C16H15F3N2O3S/c1-25(23,24)21(15-7-6-12(17)8-14(15)19)10-16(22)20-9-11-4-2-3-5-13(11)18/h2-8H,9-10H2,1H3,(H,20,22)
InChIKeyWKSAXIHITSJVDW-UHFFFAOYSA-N
XLogP2.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 113154680
2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 3594757
3-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113143416
2-(2,4-difluoro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 100570627
N-(3-acetamidophenyl)-2-(2,4-difluoro-N-methylsulfonylanilino)acetamide
CID 113156816
2-[tert-butyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 113152857
2-(2,6-difluoro-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 113157590
N-[(2-fluorophenyl)methyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148460
3-(2,4-difluoro-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 113146355
2-[N-(benzenesulfonyl)-3-fluoroanilino]-N-[(2-fluorophenyl)methyl]acetamide
CID 31254367
2-(2,4-difluoro-N-methylsulfonylanilino)-N-[4-(dimethylamino)phenyl]acetamide
CID 113156818
N-cyclohexyl-2-(2,4-difluoro-N-methylsulfonylanilino)acetamide
CID 113156765

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(2,4-difluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide (CID 113156780) is 2-(2,4-difluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-difluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(2,4-difluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide is CS(=O)(=O)N(CC(=O)NCc1ccccc1F)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is WKSAXIHITSJVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3S/c1-25(23,24)21(15-7-6-12(17)8-14(15)19)10-16(22)20-9-11-4-2-3-5-13(11)18/h2-8H,9-10H2,1H3,(H,20,22).
What are the key properties of 2-(2,4-difluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide?
2-(2,4-difluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 372.37 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 113156780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).