2-amino-4-bromo-5-[methyl(2-methylsulfonylethyl)amino]benzamide

C11H16BrN3O3S — CID 114278338

IUPAC2-amino-4-bromo-5-[methyl(2-methylsulfonylethyl)amino]benzamide
SMILESCN(CCS(C)(=O)=O)c1cc(C(N)=O)c(N)cc1Br
InChIInChI=1S/C11H16BrN3O3S/c1-15(3-4-19(2,17)18)10-5-7(11(14)16)9(13)6-8(10)12/h5-6H,3-4,13H2,1-2H3,(H2,14,16)
InChIKeyGYFYIZSWNXZROL-UHFFFAOYSA-N
MW350.24 g/mol
LogP0.61
Rot. Bonds5

About 2-amino-4-bromo-5-[methyl(2-methylsulfonylethyl)amino]benzamide

2-amino-4-bromo-5-[methyl(2-methylsulfonylethyl)amino]benzamide (PubChem CID 114278338) has the molecular formula C11H16BrN3O3S and a molecular weight of 350.24 g/mol. Its IUPAC name is 2-amino-4-bromo-5-[methyl(2-methylsulfonylethyl)amino]benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-5-[methyl(2-methylsulfonylethyl)amino]benzamide
PubChem CID114278338
Molecular FormulaC11H16BrN3O3S
Molecular Weight350.24 g/mol
Exact Mass349.01
IUPAC Name2-amino-4-bromo-5-[methyl(2-methylsulfonylethyl)amino]benzamide
SMILESCN(CCS(C)(=O)=O)c1cc(C(N)=O)c(N)cc1Br
InChIInChI=1S/C11H16BrN3O3S/c1-15(3-4-19(2,17)18)10-5-7(11(14)16)9(13)6-8(10)12/h5-6H,3-4,13H2,1-2H3,(H2,14,16)
InChIKeyGYFYIZSWNXZROL-UHFFFAOYSA-N
XLogP0.61
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-5-[methyl(2-methylsulfonylethyl)amino]benzamide?
The IUPAC name of 2-amino-4-bromo-5-[methyl(2-methylsulfonylethyl)amino]benzamide (CID 114278338) is 2-amino-4-bromo-5-[methyl(2-methylsulfonylethyl)amino]benzamide.
What is the SMILES notation for 2-amino-4-bromo-5-[methyl(2-methylsulfonylethyl)amino]benzamide?
The canonical SMILES for 2-amino-4-bromo-5-[methyl(2-methylsulfonylethyl)amino]benzamide is CN(CCS(C)(=O)=O)c1cc(C(N)=O)c(N)cc1Br.
What is the InChIKey of 2-amino-4-bromo-5-[methyl(2-methylsulfonylethyl)amino]benzamide?
The InChIKey is GYFYIZSWNXZROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O3S/c1-15(3-4-19(2,17)18)10-5-7(11(14)16)9(13)6-8(10)12/h5-6H,3-4,13H2,1-2H3,(H2,14,16).
What are the key properties of 2-amino-4-bromo-5-[methyl(2-methylsulfonylethyl)amino]benzamide?
2-amino-4-bromo-5-[methyl(2-methylsulfonylethyl)amino]benzamide has a molecular weight of 350.24 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-5-[methyl(2-methylsulfonylethyl)amino]benzamide is sourced from PubChem (CID 114278338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).