N-(4-bromo-2-fluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide

C15H13BrF2N2O3S — CID 126334178

IUPACN-(4-bromo-2-fluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1F)c1ccccc1F
InChIInChI=1S/C15H13BrF2N2O3S/c1-24(22,23)20(14-5-3-2-4-11(14)17)9-15(21)19-13-7-6-10(16)8-12(13)18/h2-8H,9H2,1H3,(H,19,21)
InChIKeyYFLVNTFTNTXKOV-UHFFFAOYSA-N
MW419.25 g/mol
LogP3.13
Rot. Bonds5

About N-(4-bromo-2-fluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide

N-(4-bromo-2-fluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide (PubChem CID 126334178) has the molecular formula C15H13BrF2N2O3S and a molecular weight of 419.25 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide
PubChem CID126334178
Molecular FormulaC15H13BrF2N2O3S
Molecular Weight419.25 g/mol
Exact Mass417.98
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1F)c1ccccc1F
InChIInChI=1S/C15H13BrF2N2O3S/c1-24(22,23)20(14-5-3-2-4-11(14)17)9-15(21)19-13-7-6-10(16)8-12(13)18/h2-8H,9H2,1H3,(H,19,21)
InChIKeyYFLVNTFTNTXKOV-UHFFFAOYSA-N
XLogP3.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.25
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 126258649
N-(3-bromophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 1349692
N-(4-bromo-2-fluorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126320797
N-(4-bromo-2-fluorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
CID 126311869
2-[N-(benzenesulfonyl)anilino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 26565252
N-(2-fluorophenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 17312968
methyl 2-[[2-(2-fluoroanilino)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113155909
N-(2-fluorophenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
CID 113157538
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 126258294
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 21371746
N-tert-butyl-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 3139233
2-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
CID 113157644

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide (CID 126334178) is N-(4-bromo-2-fluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1F)c1ccccc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide?
The InChIKey is YFLVNTFTNTXKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2N2O3S/c1-24(22,23)20(14-5-3-2-4-11(14)17)9-15(21)19-13-7-6-10(16)8-12(13)18/h2-8H,9H2,1H3,(H,19,21).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide?
N-(4-bromo-2-fluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide has a molecular weight of 419.25 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 126334178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).