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

C21H18BrFN2O3S — CID 26565833

IUPAC2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2-bromo-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(Br)c1
InChIInChI=1S/C21H18BrFN2O3S/c1-15-7-12-20(19(22)13-15)24-21(26)14-25(17-10-8-16(23)9-11-17)29(27,28)18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,24,26)
InChIKeyUFQCOQMUJMGZJP-UHFFFAOYSA-N
MW477.36 g/mol
LogP4.73
Rot. Bonds6

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

2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2-bromo-4-methylphenyl)acetamide (PubChem CID 26565833) has the molecular formula C21H18BrFN2O3S and a molecular weight of 477.36 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2-bromo-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2-bromo-4-methylphenyl)acetamide
PubChem CID26565833
Molecular FormulaC21H18BrFN2O3S
Molecular Weight477.36 g/mol
Exact Mass476.02
IUPAC Name2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2-bromo-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(Br)c1
InChIInChI=1S/C21H18BrFN2O3S/c1-15-7-12-20(19(22)13-15)24-21(26)14-25(17-10-8-16(23)9-11-17)29(27,28)18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,24,26)
InChIKeyUFQCOQMUJMGZJP-UHFFFAOYSA-N
XLogP4.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.36
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 21371746
N-(2-bromo-4-methylphenyl)-2-(N-(2-fluorophenyl)sulfonylanilino)acetamide
CID 25487605
N-(2,4-dimethylphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1334839
N-(2-bromo-4-methylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 113153680
N-(2-bromophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51345310
2-[N-(benzenesulfonyl)anilino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 26565252
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylphenyl)acetamide
CID 4541167
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 30264956
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(2-bromophenyl)acetamide
CID 43891619
2-[N-(benzenesulfonyl)-3-methylanilino]-N-(4-fluorophenyl)acetamide
CID 1288293
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 1338618
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1339403

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2-bromo-4-methylphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2-bromo-4-methylphenyl)acetamide (CID 26565833) is 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2-bromo-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2-bromo-4-methylphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2-bromo-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(Br)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2-bromo-4-methylphenyl)acetamide?
The InChIKey is UFQCOQMUJMGZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrFN2O3S/c1-15-7-12-20(19(22)13-15)24-21(26)14-25(17-10-8-16(23)9-11-17)29(27,28)18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of 2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2-bromo-4-methylphenyl)acetamide?
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(2-bromo-4-methylphenyl)acetamide has a molecular weight of 477.36 g/mol, XLogP of 4.73, 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-(2-bromo-4-methylphenyl)acetamide is sourced from PubChem (CID 26565833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).