2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide

C21H18BrFN2O3S — CID 1329355

IUPAC2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)Nc1cccc(F)c1
InChIInChI=1S/C21H18BrFN2O3S/c22-17-9-11-20(12-10-17)29(27,28)25(14-16-5-2-1-3-6-16)15-21(26)24-19-8-4-7-18(23)13-19/h1-13H,14-15H2,(H,24,26)
InChIKeyZLBAJYOKLHEUPX-UHFFFAOYSA-N
MW477.36 g/mol
LogP4.42
Rot. Bonds7

About 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide

2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide (PubChem CID 1329355) has the molecular formula C21H18BrFN2O3S and a molecular weight of 477.36 g/mol. Its IUPAC name is 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
PubChem CID1329355
Molecular FormulaC21H18BrFN2O3S
Molecular Weight477.36 g/mol
Exact Mass476.02
IUPAC Name2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)Nc1cccc(F)c1
InChIInChI=1S/C21H18BrFN2O3S/c22-17-9-11-20(12-10-17)29(27,28)25(14-16-5-2-1-3-6-16)15-21(26)24-19-8-4-7-18(23)13-19/h1-13H,14-15H2,(H,24,26)
InChIKeyZLBAJYOKLHEUPX-UHFFFAOYSA-N
XLogP4.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.36
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-phenylacetamide
CID 23913704
2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 126081673
N-(3-acetylphenyl)-2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetamide
CID 126090029
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 45372456
2-[[4-(diethylsulfamoyl)phenyl]sulfonyl-[(4-fluorophenyl)methyl]amino]-N-phenylacetamide
CID 1435666
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)acetamide
CID 126011905
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-ethylacetamide
CID 3136902
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3-cyanophenyl)acetamide
CID 100794127
2-[benzyl-(2-fluorophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 2108598
2-[benzyl(methylsulfonyl)amino]-N-(3-bromophenyl)acetamide
CID 1021180
2-[benzyl-(4-bromophenyl)sulfonylamino]acetate
CID 7317037
N-(3-acetamidophenyl)-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]acetamide
CID 30883186

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide (CID 1329355) is 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide is O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)Nc1cccc(F)c1.
What is the InChIKey of 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide?
The InChIKey is ZLBAJYOKLHEUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrFN2O3S/c22-17-9-11-20(12-10-17)29(27,28)25(14-16-5-2-1-3-6-16)15-21(26)24-19-8-4-7-18(23)13-19/h1-13H,14-15H2,(H,24,26).
What are the key properties of 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide?
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide has a molecular weight of 477.36 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 1329355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).