2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(4-bromo-2-fluorophenyl)acetamide

C20H15BrF2N2O3S — CID 21371746

IUPAC2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(4-bromo-2-fluorophenyl)acetamide
SMILESO=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(Br)cc1F
InChIInChI=1S/C20H15BrF2N2O3S/c21-14-6-11-19(18(23)12-14)24-20(26)13-25(16-9-7-15(22)8-10-16)29(27,28)17-4-2-1-3-5-17/h1-12H,13H2,(H,24,26)
InChIKeyOLZIFDPXBZGISL-UHFFFAOYSA-N
MW481.32 g/mol
LogP4.56
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(4-bromo-2-fluorophenyl)acetamide

2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(4-bromo-2-fluorophenyl)acetamide (PubChem CID 21371746) has the molecular formula C20H15BrF2N2O3S and a molecular weight of 481.32 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(4-bromo-2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(4-bromo-2-fluorophenyl)acetamide
PubChem CID21371746
Molecular FormulaC20H15BrF2N2O3S
Molecular Weight481.32 g/mol
Exact Mass480.00
IUPAC Name2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(4-bromo-2-fluorophenyl)acetamide
SMILESO=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(Br)cc1F
InChIInChI=1S/C20H15BrF2N2O3S/c21-14-6-11-19(18(23)12-14)24-20(26)13-25(16-9-7-15(22)8-10-16)29(27,28)17-4-2-1-3-5-17/h1-12H,13H2,(H,24,26)
InChIKeyOLZIFDPXBZGISL-UHFFFAOYSA-N
XLogP4.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.32
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(4-bromo-2-fluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[N-(benzenesulfonyl)anilino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 26565252
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 126258294
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2-bromo-4-methylphenyl)acetamide
CID 26565833
N-(4-bromo-2-fluorophenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 126415456
N-(4-bromophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 1289283
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(2-bromophenyl)acetamide
CID 43891619
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2-phenylphenyl)acetamide
CID 1314109
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-difluorophenyl)acetamide
CID 126030529
N-(4-bromophenyl)-2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 30259314
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]acetamide
CID 43881103
N-(4-bromo-2-fluorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126320797
2-[[2-[N-(benzenesulfonyl)-4-bromoanilino]acetyl]amino]benzamide
CID 126032170

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(4-bromo-2-fluorophenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(4-bromo-2-fluorophenyl)acetamide (CID 21371746) is 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(4-bromo-2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(4-bromo-2-fluorophenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(4-bromo-2-fluorophenyl)acetamide is O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(Br)cc1F.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(4-bromo-2-fluorophenyl)acetamide?
The InChIKey is OLZIFDPXBZGISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrF2N2O3S/c21-14-6-11-19(18(23)12-14)24-20(26)13-25(16-9-7-15(22)8-10-16)29(27,28)17-4-2-1-3-5-17/h1-12H,13H2,(H,24,26).
What are the key properties of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(4-bromo-2-fluorophenyl)acetamide?
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(4-bromo-2-fluorophenyl)acetamide has a molecular weight of 481.32 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(4-bromo-2-fluorophenyl)acetamide is sourced from PubChem (CID 21371746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).