2-(4-bromo-N-methylsulfonylanilino)-N-(3,4-dichlorophenyl)acetamide

C15H13BrCl2N2O3S — CID 1295950

IUPAC2-(4-bromo-N-methylsulfonylanilino)-N-(3,4-dichlorophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrCl2N2O3S/c1-24(22,23)20(12-5-2-10(16)3-6-12)9-15(21)19-11-4-7-13(17)14(18)8-11/h2-8H,9H2,1H3,(H,19,21)
InChIKeyXSJCMRADAFKPPT-UHFFFAOYSA-N
MW452.16 g/mol
LogP4.16
Rot. Bonds5

About 2-(4-bromo-N-methylsulfonylanilino)-N-(3,4-dichlorophenyl)acetamide

2-(4-bromo-N-methylsulfonylanilino)-N-(3,4-dichlorophenyl)acetamide (PubChem CID 1295950) has the molecular formula C15H13BrCl2N2O3S and a molecular weight of 452.16 g/mol. Its IUPAC name is 2-(4-bromo-N-methylsulfonylanilino)-N-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-N-methylsulfonylanilino)-N-(3,4-dichlorophenyl)acetamide
PubChem CID1295950
Molecular FormulaC15H13BrCl2N2O3S
Molecular Weight452.16 g/mol
Exact Mass449.92
IUPAC Name2-(4-bromo-N-methylsulfonylanilino)-N-(3,4-dichlorophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrCl2N2O3S/c1-24(22,23)20(12-5-2-10(16)3-6-12)9-15(21)19-11-4-7-13(17)14(18)8-11/h2-8H,9H2,1H3,(H,19,21)
InChIKeyXSJCMRADAFKPPT-UHFFFAOYSA-N
XLogP4.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.16
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[[2-(4-bromo-N-methylsulfonylanilino)acetyl]amino]-2-chlorobenzoate
CID 28635517
N-(3-chloro-4-fluorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 1290563
N-(4-bromo-3-chlorophenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 2210102
N-(4-bromo-3-chlorophenyl)-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 21372395
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 1315632
N-(4-bromo-3-chlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 126261953
N-(3-chloro-4-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 126035088
2-(4-bromo-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 1314108
4-[[2-(4-bromoanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30259369
methyl 4-[[2-(4-bromoanilino)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 56539381
N-(3-acetylphenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 126032035
2-(3-bromo-N-methylsulfonylanilino)-N-(4-bromophenyl)acetamide
CID 30168807

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-N-methylsulfonylanilino)-N-(3,4-dichlorophenyl)acetamide?
The IUPAC name of 2-(4-bromo-N-methylsulfonylanilino)-N-(3,4-dichlorophenyl)acetamide (CID 1295950) is 2-(4-bromo-N-methylsulfonylanilino)-N-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-N-methylsulfonylanilino)-N-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-(4-bromo-N-methylsulfonylanilino)-N-(3,4-dichlorophenyl)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromo-N-methylsulfonylanilino)-N-(3,4-dichlorophenyl)acetamide?
The InChIKey is XSJCMRADAFKPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2N2O3S/c1-24(22,23)20(12-5-2-10(16)3-6-12)9-15(21)19-11-4-7-13(17)14(18)8-11/h2-8H,9H2,1H3,(H,19,21).
What are the key properties of 2-(4-bromo-N-methylsulfonylanilino)-N-(3,4-dichlorophenyl)acetamide?
2-(4-bromo-N-methylsulfonylanilino)-N-(3,4-dichlorophenyl)acetamide has a molecular weight of 452.16 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-N-methylsulfonylanilino)-N-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 1295950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).