N-(4-bromo-3-chlorophenyl)-2-(4-methylsulfonylphenyl)acetamide

C15H13BrClNO3S — CID 71284029

IUPACN-(4-bromo-3-chlorophenyl)-2-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(Br)c(Cl)c2)cc1
InChIInChI=1S/C15H13BrClNO3S/c1-22(20,21)12-5-2-10(3-6-12)8-15(19)18-11-4-7-13(16)14(17)9-11/h2-7,9H,8H2,1H3,(H,18,19)
InChIKeyADJBABXNHLBXLW-UHFFFAOYSA-N
MW402.70 g/mol
LogP3.69
Rot. Bonds4

About N-(4-bromo-3-chlorophenyl)-2-(4-methylsulfonylphenyl)acetamide

N-(4-bromo-3-chlorophenyl)-2-(4-methylsulfonylphenyl)acetamide (PubChem CID 71284029) has the molecular formula C15H13BrClNO3S and a molecular weight of 402.70 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-2-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-2-(4-methylsulfonylphenyl)acetamide
PubChem CID71284029
Molecular FormulaC15H13BrClNO3S
Molecular Weight402.70 g/mol
Exact Mass400.95
IUPAC NameN-(4-bromo-3-chlorophenyl)-2-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(Br)c(Cl)c2)cc1
InChIInChI=1S/C15H13BrClNO3S/c1-22(20,21)12-5-2-10(3-6-12)8-15(19)18-11-4-7-13(16)14(17)9-11/h2-7,9H,8H2,1H3,(H,18,19)
InChIKeyADJBABXNHLBXLW-UHFFFAOYSA-N
XLogP3.69
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.70
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771339
N-(4-bromo-3-fluorophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 71283763
N-(3,5-dichloro-4-phenylphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 123708136
N-(3-fluorophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771361
N-(4-bromo-3-chlorophenyl)-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 21372395
N-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 41139632
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(4-methylsulfonylphenyl)acetamide
CID 41139582
N-(4-cyanophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771370
N-(3,4-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107020559
ethyl 3-(4-bromo-3-chloroanilino)-3-oxopropanoate
CID 134123354
N-(4-bromo-3-chlorophenyl)decanamide
CID 107620607
2-(3-bromo-4-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 47293530

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-2-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-2-(4-methylsulfonylphenyl)acetamide (CID 71284029) is N-(4-bromo-3-chlorophenyl)-2-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-2-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-2-(4-methylsulfonylphenyl)acetamide is CS(=O)(=O)c1ccc(CC(=O)Nc2ccc(Br)c(Cl)c2)cc1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-2-(4-methylsulfonylphenyl)acetamide?
The InChIKey is ADJBABXNHLBXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO3S/c1-22(20,21)12-5-2-10(3-6-12)8-15(19)18-11-4-7-13(16)14(17)9-11/h2-7,9H,8H2,1H3,(H,18,19).
What are the key properties of N-(4-bromo-3-chlorophenyl)-2-(4-methylsulfonylphenyl)acetamide?
N-(4-bromo-3-chlorophenyl)-2-(4-methylsulfonylphenyl)acetamide has a molecular weight of 402.70 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-2-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 71284029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).