2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(4-bromo-3-chlorophenyl)acetamide

C21H17BrCl2N2O3S — CID 126279267

IUPAC2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(4-bromo-3-chlorophenyl)acetamide
SMILESCc1ccc(Cl)cc1N(CC(=O)Nc1ccc(Br)c(Cl)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H17BrCl2N2O3S/c1-14-7-8-15(23)11-20(14)26(30(28,29)17-5-3-2-4-6-17)13-21(27)25-16-9-10-18(22)19(24)12-16/h2-12H,13H2,1H3,(H,25,27)
InChIKeyVKWGAPIYIZKEPF-UHFFFAOYSA-N
MW528.26 g/mol
LogP5.90
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(4-bromo-3-chlorophenyl)acetamide

2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(4-bromo-3-chlorophenyl)acetamide (PubChem CID 126279267) has the molecular formula C21H17BrCl2N2O3S and a molecular weight of 528.26 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(4-bromo-3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(4-bromo-3-chlorophenyl)acetamide
PubChem CID126279267
Molecular FormulaC21H17BrCl2N2O3S
Molecular Weight528.26 g/mol
Exact Mass525.95
IUPAC Name2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(4-bromo-3-chlorophenyl)acetamide
SMILESCc1ccc(Cl)cc1N(CC(=O)Nc1ccc(Br)c(Cl)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H17BrCl2N2O3S/c1-14-7-8-15(23)11-20(14)26(30(28,29)17-5-3-2-4-6-17)13-21(27)25-16-9-10-18(22)19(24)12-16/h2-12H,13H2,1H3,(H,25,27)
InChIKeyVKWGAPIYIZKEPF-UHFFFAOYSA-N
XLogP5.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.26
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-bromo-3-methylphenyl)acetamide
CID 51344789
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(4-bromo-3-chlorophenyl)acetamide
CID 2209343
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(4-fluorophenyl)acetamide
CID 3611003
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-bromophenyl)acetamide
CID 2273343
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 51343675
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(3-methylsulfanylphenyl)acetamide
CID 126032037
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(3-methoxyphenyl)acetamide
CID 30170103
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetamide
CID 983021
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43880905
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(2,4,6-trimethylphenyl)acetamide
CID 126139467
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(3-chloro-4-methylphenyl)acetamide
CID 4546563
N-(4-bromo-3-methylphenyl)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 1288859

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(4-bromo-3-chlorophenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(4-bromo-3-chlorophenyl)acetamide (CID 126279267) is 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(4-bromo-3-chlorophenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(4-bromo-3-chlorophenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(4-bromo-3-chlorophenyl)acetamide is Cc1ccc(Cl)cc1N(CC(=O)Nc1ccc(Br)c(Cl)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(4-bromo-3-chlorophenyl)acetamide?
The InChIKey is VKWGAPIYIZKEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrCl2N2O3S/c1-14-7-8-15(23)11-20(14)26(30(28,29)17-5-3-2-4-6-17)13-21(27)25-16-9-10-18(22)19(24)12-16/h2-12H,13H2,1H3,(H,25,27).
What are the key properties of 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(4-bromo-3-chlorophenyl)acetamide?
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(4-bromo-3-chlorophenyl)acetamide has a molecular weight of 528.26 g/mol, XLogP of 5.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(4-bromo-3-chlorophenyl)acetamide is sourced from PubChem (CID 126279267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).