2-(3-bromo-N-methylsulfonylanilino)-N-(4-bromophenyl)acetamide

C15H14Br2N2O3S — CID 30168807

IUPAC2-(3-bromo-N-methylsulfonylanilino)-N-(4-bromophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1)c1cccc(Br)c1
InChIInChI=1S/C15H14Br2N2O3S/c1-23(21,22)19(14-4-2-3-12(17)9-14)10-15(20)18-13-7-5-11(16)6-8-13/h2-9H,10H2,1H3,(H,18,20)
InChIKeyIDFGJGLOZKJYFM-UHFFFAOYSA-N
MW462.16 g/mol
LogP3.62
Rot. Bonds5

About 2-(3-bromo-N-methylsulfonylanilino)-N-(4-bromophenyl)acetamide

2-(3-bromo-N-methylsulfonylanilino)-N-(4-bromophenyl)acetamide (PubChem CID 30168807) has the molecular formula C15H14Br2N2O3S and a molecular weight of 462.16 g/mol. Its IUPAC name is 2-(3-bromo-N-methylsulfonylanilino)-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(3-bromo-N-methylsulfonylanilino)-N-(4-bromophenyl)acetamide
PubChem CID30168807
Molecular FormulaC15H14Br2N2O3S
Molecular Weight462.16 g/mol
Exact Mass459.91
IUPAC Name2-(3-bromo-N-methylsulfonylanilino)-N-(4-bromophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1)c1cccc(Br)c1
InChIInChI=1S/C15H14Br2N2O3S/c1-23(21,22)19(14-4-2-3-12(17)9-14)10-15(20)18-13-7-5-11(16)6-8-13/h2-9H,10H2,1H3,(H,18,20)
InChIKeyIDFGJGLOZKJYFM-UHFFFAOYSA-N
XLogP3.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.16
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-N-methylsulfonylanilino)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 28589865
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(4-bromophenyl)acetamide
CID 43891649
2-(3-bromo-N-methylsulfonylanilino)-N-(2,6-difluorophenyl)acetamide
CID 2210419
2-(3-acetyl-N-methylsulfonylanilino)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]acetamide
CID 126416895
2-(4-bromo-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 1314108
2-(3-bromo-N-methylsulfonylanilino)-N-(2-methylsulfanylphenyl)acetamide
CID 4876024
N-(4-bromophenyl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 1356960
2-(3-bromo-N-methylsulfonylanilino)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 1280179
2-(4-bromo-N-methylsulfonylanilino)-N-(3,4-dichlorophenyl)acetamide
CID 1295950
methyl 4-[[2-(4-bromoanilino)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 56539381
2-(3-bromo-N-methylsulfonylanilino)-N-cyclopentylacetamide
CID 999619
4-[[2-(4-bromoanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30259369

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-N-methylsulfonylanilino)-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-(3-bromo-N-methylsulfonylanilino)-N-(4-bromophenyl)acetamide (CID 30168807) is 2-(3-bromo-N-methylsulfonylanilino)-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-(3-bromo-N-methylsulfonylanilino)-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-(3-bromo-N-methylsulfonylanilino)-N-(4-bromophenyl)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc(Br)cc1)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromo-N-methylsulfonylanilino)-N-(4-bromophenyl)acetamide?
The InChIKey is IDFGJGLOZKJYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O3S/c1-23(21,22)19(14-4-2-3-12(17)9-14)10-15(20)18-13-7-5-11(16)6-8-13/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of 2-(3-bromo-N-methylsulfonylanilino)-N-(4-bromophenyl)acetamide?
2-(3-bromo-N-methylsulfonylanilino)-N-(4-bromophenyl)acetamide has a molecular weight of 462.16 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-N-methylsulfonylanilino)-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 30168807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).