2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylacetamide

C10H13BrN2O3S — CID 9302289

IUPAC2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylacetamide
SMILESCNC(=O)CNS(=O)(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C10H13BrN2O3S/c1-7-5-8(3-4-9(7)11)17(15,16)13-6-10(14)12-2/h3-5,13H,6H2,1-2H3,(H,12,14)
InChIKeyTZAJUZUFOBHJMW-UHFFFAOYSA-N
MW321.20 g/mol
LogP0.78
Rot. Bonds4

About 2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylacetamide

2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylacetamide (PubChem CID 9302289) has the molecular formula C10H13BrN2O3S and a molecular weight of 321.20 g/mol. Its IUPAC name is 2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylacetamide
PubChem CID9302289
Molecular FormulaC10H13BrN2O3S
Molecular Weight321.20 g/mol
Exact Mass319.98
IUPAC Name2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylacetamide
SMILESCNC(=O)CNS(=O)(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C10H13BrN2O3S/c1-7-5-8(3-4-9(7)11)17(15,16)13-6-10(14)12-2/h3-5,13H,6H2,1-2H3,(H,12,14)
InChIKeyTZAJUZUFOBHJMW-UHFFFAOYSA-N
XLogP0.78
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 9189603
4-bromo-3-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 39668245
4-bromo-3-methyl-N-propylbenzenesulfonamide
CID 2439945
4-bromo-3-methyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43606030
4-bromo-N-[(2S)-2-hydroxypropyl]-3-methylbenzenesulfonamide
CID 51681214
4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbenzenesulfonamide
CID 113318758
N-(2-amino-2-methylpropyl)-4-bromo-3-methylbenzenesulfonamide
CID 115303618
4-bromo-3-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 113282590
2-chloro-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43214152
4-[(4-bromo-3-methylphenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540369
N-(4-bromo-3-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide
CID 78784962
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylacetamide
CID 9302237

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylacetamide?
The IUPAC name of 2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylacetamide (CID 9302289) is 2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylacetamide?
The canonical SMILES for 2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylacetamide is CNC(=O)CNS(=O)(=O)c1ccc(Br)c(C)c1.
What is the InChIKey of 2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylacetamide?
The InChIKey is TZAJUZUFOBHJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3S/c1-7-5-8(3-4-9(7)11)17(15,16)13-6-10(14)12-2/h3-5,13H,6H2,1-2H3,(H,12,14).
What are the key properties of 2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylacetamide?
2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylacetamide has a molecular weight of 321.20 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-3-methylphenyl)sulfonylamino]-N-methylacetamide is sourced from PubChem (CID 9302289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).