2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide

C17H17BrCl2N2O3S — CID 26943095

IUPAC2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(C)S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)c1C
InChIInChI=1S/C17H17BrCl2N2O3S/c1-10-5-4-6-15(11(10)2)21-16(23)9-22(3)26(24,25)17-13(19)7-12(18)8-14(17)20/h4-8H,9H2,1-3H3,(H,21,23)
InChIKeyFUGIUCGWQVPKOH-UHFFFAOYSA-N
MW480.21 g/mol
LogP4.63
Rot. Bonds5

About 2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide

2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 26943095) has the molecular formula C17H17BrCl2N2O3S and a molecular weight of 480.21 g/mol. Its IUPAC name is 2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
PubChem CID26943095
Molecular FormulaC17H17BrCl2N2O3S
Molecular Weight480.21 g/mol
Exact Mass477.95
IUPAC Name2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(C)S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)c1C
InChIInChI=1S/C17H17BrCl2N2O3S/c1-10-5-4-6-15(11(10)2)21-16(23)9-22(3)26(24,25)17-13(19)7-12(18)8-14(17)20/h4-8H,9H2,1-3H3,(H,21,23)
InChIKeyFUGIUCGWQVPKOH-UHFFFAOYSA-N
XLogP4.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.21
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 1314170
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2709829
N-(2,3-dimethylphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 925267
N-(2,3-dimethylphenyl)-2-[dimethylsulfamoyl(methyl)amino]acetamide
CID 35329527
2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 28536385
N-(2-chloro-4-methylphenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287929
N-(3-chloro-2-methylphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464461
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2-methylphenyl)acetamide
CID 16583536
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-chlorophenyl)acetamide
CID 1281147
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 2175051
2-[(2,6-dichlorophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287814
2-(4-bromo-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 126030274

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide (CID 26943095) is 2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)c1C.
What is the InChIKey of 2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is FUGIUCGWQVPKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrCl2N2O3S/c1-10-5-4-6-15(11(10)2)21-16(23)9-22(3)26(24,25)17-13(19)7-12(18)8-14(17)20/h4-8H,9H2,1-3H3,(H,21,23).
What are the key properties of 2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide?
2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 480.21 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2,6-dichlorophenyl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 26943095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).