2-(2-bromo-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide

C16H15BrCl2N2O3S — CID 51342994

IUPAC2-(2-bromo-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1Cl)c1ccccc1Br
InChIInChI=1S/C16H15BrCl2N2O3S/c1-25(23,24)21(15-5-3-2-4-13(15)17)10-16(22)20-9-11-6-7-12(18)8-14(11)19/h2-8H,9-10H2,1H3,(H,20,22)
InChIKeyOUPNKWUHIRJJAC-UHFFFAOYSA-N
MW466.18 g/mol
LogP3.84
Rot. Bonds6

About 2-(2-bromo-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide

2-(2-bromo-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide (PubChem CID 51342994) has the molecular formula C16H15BrCl2N2O3S and a molecular weight of 466.18 g/mol. Its IUPAC name is 2-(2-bromo-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
PubChem CID51342994
Molecular FormulaC16H15BrCl2N2O3S
Molecular Weight466.18 g/mol
Exact Mass463.94
IUPAC Name2-(2-bromo-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1Cl)c1ccccc1Br
InChIInChI=1S/C16H15BrCl2N2O3S/c1-25(23,24)21(15-5-3-2-4-13(15)17)10-16(22)20-9-11-6-7-12(18)8-14(11)19/h2-8H,9-10H2,1H3,(H,20,22)
InChIKeyOUPNKWUHIRJJAC-UHFFFAOYSA-N
XLogP3.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.18
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 51343008
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 51342866
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 22193681
N-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 51342604
N-[(2,4-dichlorophenyl)methyl]-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 51342745
N-benzyl-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide
CID 3465681
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 4584427
2-(3-acetyl-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 2983830
2-(2-bromo-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 1348545
2-(2-bromo-N-methylsulfonylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 2893886
N-[(2-chlorophenyl)methyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 1210502
(2R)-2-[[2-(2-bromo-N-methylsulfonylanilino)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-propylbutanamide
CID 100586369

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide?
The IUPAC name of 2-(2-bromo-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide (CID 51342994) is 2-(2-bromo-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-bromo-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(2-bromo-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide is CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1Cl)c1ccccc1Br.
What is the InChIKey of 2-(2-bromo-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide?
The InChIKey is OUPNKWUHIRJJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrCl2N2O3S/c1-25(23,24)21(15-5-3-2-4-13(15)17)10-16(22)20-9-11-6-7-12(18)8-14(11)19/h2-8H,9-10H2,1H3,(H,20,22).
What are the key properties of 2-(2-bromo-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide?
2-(2-bromo-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide has a molecular weight of 466.18 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide is sourced from PubChem (CID 51342994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).