N-(2-bromophenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide

C16H16BrClN2O3S — CID 2223290

IUPACN-(2-bromophenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1Br)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H16BrClN2O3S/c1-24(22,23)20(10-12-6-8-13(18)9-7-12)11-16(21)19-15-5-3-2-4-14(15)17/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyJUSKRHFCLYTESN-UHFFFAOYSA-N
MW431.74 g/mol
LogP3.50
Rot. Bonds6

About N-(2-bromophenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide

N-(2-bromophenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide (PubChem CID 2223290) has the molecular formula C16H16BrClN2O3S and a molecular weight of 431.74 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide
PubChem CID2223290
Molecular FormulaC16H16BrClN2O3S
Molecular Weight431.74 g/mol
Exact Mass429.98
IUPAC NameN-(2-bromophenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1Br)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H16BrClN2O3S/c1-24(22,23)20(10-12-6-8-13(18)9-7-12)11-16(21)19-15-5-3-2-4-14(15)17/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyJUSKRHFCLYTESN-UHFFFAOYSA-N
XLogP3.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.74
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2222415
N-(2-bromophenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151708
N-(2-bromophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
CID 113150212
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide
CID 2301952
N-(4-chloro-2-methylphenyl)-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 100572306
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 4543333
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 2231151
N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide
CID 17225191
N-(2,5-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetamide
CID 28548467
3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methoxyphenyl)propanamide
CID 113139525
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-methylpropyl)acetamide
CID 3969354
3-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-cyanophenyl)propanamide
CID 113139529

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide (CID 2223290) is N-(2-bromophenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide is CS(=O)(=O)N(CC(=O)Nc1ccccc1Br)Cc1ccc(Cl)cc1.
What is the InChIKey of N-(2-bromophenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide?
The InChIKey is JUSKRHFCLYTESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O3S/c1-24(22,23)20(10-12-6-8-13(18)9-7-12)11-16(21)19-15-5-3-2-4-14(15)17/h2-9H,10-11H2,1H3,(H,19,21).
What are the key properties of N-(2-bromophenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide?
N-(2-bromophenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide has a molecular weight of 431.74 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 2223290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).