2-(2-bromo-N-methylsulfonylanilino)-N-(4-chloro-2-methylphenyl)acetamide

C16H16BrClN2O3S — CID 2893886

IUPAC2-(2-bromo-N-methylsulfonylanilino)-N-(4-chloro-2-methylphenyl)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN(c1ccccc1Br)S(C)(=O)=O
InChIInChI=1S/C16H16BrClN2O3S/c1-11-9-12(18)7-8-14(11)19-16(21)10-20(24(2,22)23)15-6-4-3-5-13(15)17/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyMLKNZABFGRREGJ-UHFFFAOYSA-N
MW431.74 g/mol
LogP3.82
Rot. Bonds5

About 2-(2-bromo-N-methylsulfonylanilino)-N-(4-chloro-2-methylphenyl)acetamide

2-(2-bromo-N-methylsulfonylanilino)-N-(4-chloro-2-methylphenyl)acetamide (PubChem CID 2893886) has the molecular formula C16H16BrClN2O3S and a molecular weight of 431.74 g/mol. Its IUPAC name is 2-(2-bromo-N-methylsulfonylanilino)-N-(4-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-N-methylsulfonylanilino)-N-(4-chloro-2-methylphenyl)acetamide
PubChem CID2893886
Molecular FormulaC16H16BrClN2O3S
Molecular Weight431.74 g/mol
Exact Mass429.98
IUPAC Name2-(2-bromo-N-methylsulfonylanilino)-N-(4-chloro-2-methylphenyl)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN(c1ccccc1Br)S(C)(=O)=O
InChIInChI=1S/C16H16BrClN2O3S/c1-11-9-12(18)7-8-14(11)19-16(21)10-20(24(2,22)23)15-6-4-3-5-13(15)17/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyMLKNZABFGRREGJ-UHFFFAOYSA-N
XLogP3.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.74
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 1322632
2-(2-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 51343170
N-(4-chloro-2-methylphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 51342537
N-(4-chloro-2-methylphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide
CID 113141688
N-(4-bromo-3-methylphenyl)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 1288859
N-(4-bromo-3-methylphenyl)-2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 2280606
N-(4-chloro-2-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 4016109
2-(2-bromo-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide
CID 2209148
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 1204030
N-(4-chloro-2-methylphenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1337881
2-(2-bromo-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 51342994
N-(4-chloro-2-methylphenyl)-3-(2-methoxy-N-methylsulfonylanilino)propanamide
CID 113144536

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-N-methylsulfonylanilino)-N-(4-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-(2-bromo-N-methylsulfonylanilino)-N-(4-chloro-2-methylphenyl)acetamide (CID 2893886) is 2-(2-bromo-N-methylsulfonylanilino)-N-(4-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-N-methylsulfonylanilino)-N-(4-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-(2-bromo-N-methylsulfonylanilino)-N-(4-chloro-2-methylphenyl)acetamide is Cc1cc(Cl)ccc1NC(=O)CN(c1ccccc1Br)S(C)(=O)=O.
What is the InChIKey of 2-(2-bromo-N-methylsulfonylanilino)-N-(4-chloro-2-methylphenyl)acetamide?
The InChIKey is MLKNZABFGRREGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O3S/c1-11-9-12(18)7-8-14(11)19-16(21)10-20(24(2,22)23)15-6-4-3-5-13(15)17/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of 2-(2-bromo-N-methylsulfonylanilino)-N-(4-chloro-2-methylphenyl)acetamide?
2-(2-bromo-N-methylsulfonylanilino)-N-(4-chloro-2-methylphenyl)acetamide has a molecular weight of 431.74 g/mol, XLogP of 3.82, 5 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-(4-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 2893886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).