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

C9H11BrN2O3S — CID 846637

IUPAC2-(3-bromo-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(N)=O)c1cccc(Br)c1
InChIInChI=1S/C9H11BrN2O3S/c1-16(14,15)12(6-9(11)13)8-4-2-3-7(10)5-8/h2-5H,6H2,1H3,(H2,11,13)
InChIKeyAVMRLZUOWLIZPW-UHFFFAOYSA-N
MW307.17 g/mol
LogP0.70
Rot. Bonds4

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

2-(3-bromo-N-methylsulfonylanilino)acetamide (PubChem CID 846637) has the molecular formula C9H11BrN2O3S and a molecular weight of 307.17 g/mol. Its IUPAC name is 2-(3-bromo-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound Name2-(3-bromo-N-methylsulfonylanilino)acetamide
PubChem CID846637
Molecular FormulaC9H11BrN2O3S
Molecular Weight307.17 g/mol
Exact Mass305.97
IUPAC Name2-(3-bromo-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(N)=O)c1cccc(Br)c1
InChIInChI=1S/C9H11BrN2O3S/c1-16(14,15)12(6-9(11)13)8-4-2-3-7(10)5-8/h2-5H,6H2,1H3,(H2,11,13)
InChIKeyAVMRLZUOWLIZPW-UHFFFAOYSA-N
XLogP0.70
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.17
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(methylsulfonyl)amino]-N-(3-bromophenyl)acetamide
CID 1021180
N~1~-(4-bromophenyl)-N~2~-cyclohexyl-N~2~-(methylsulfonyl)glycinamide
CID 1288007
2-(3-bromoanilino)-N-hydroxyacetamide
CID 145950151
1-Piperidineacetamide, N-(3-bromophenyl)-
CID 969575
N-(4-bromophenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide
CID 1095013
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-bromophenyl)methanesulfonamide
CID 1339092
N~2~-benzyl-N~1~-(2-bromophenyl)-N~2~-(methylsulfonyl)glycinamide
CID 2192163
2-(3-bromo-N-methylsulfonylanilino)-N,N-diethylacetamide
CID 2272992
N-(2-bromo-4-sulfamoyl-phenyl)-2-methylamino-acetamide
CID 10734581
N-(4-bromo-2-fluorophenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide
CID 1021972
N-(2-Bromo-phenyl)-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-methanesulfonamide
CID 1120566
Acetamide, N-(3-bromophenyl)-2-(diethylamino)-, monohydrochloride
CID 2946364

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-N-methylsulfonylanilino)acetamide?
The IUPAC name of 2-(3-bromo-N-methylsulfonylanilino)acetamide (CID 846637) is 2-(3-bromo-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for 2-(3-bromo-N-methylsulfonylanilino)acetamide?
The canonical SMILES for 2-(3-bromo-N-methylsulfonylanilino)acetamide is CS(=O)(=O)N(CC(N)=O)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromo-N-methylsulfonylanilino)acetamide?
The InChIKey is AVMRLZUOWLIZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O3S/c1-16(14,15)12(6-9(11)13)8-4-2-3-7(10)5-8/h2-5H,6H2,1H3,(H2,11,13).
What are the key properties of 2-(3-bromo-N-methylsulfonylanilino)acetamide?
2-(3-bromo-N-methylsulfonylanilino)acetamide has a molecular weight of 307.17 g/mol, XLogP of 0.70, 4 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)acetamide is sourced from PubChem (CID 846637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).