5-amino-2-bromo-N-[2-(dimethylsulfamoyl)ethyl]benzamide

C11H16BrN3O3S — CID 106333048

IUPAC5-amino-2-bromo-N-[2-(dimethylsulfamoyl)ethyl]benzamide
SMILESCN(C)S(=O)(=O)CCNC(=O)c1cc(N)ccc1Br
InChIInChI=1S/C11H16BrN3O3S/c1-15(2)19(17,18)6-5-14-11(16)9-7-8(13)3-4-10(9)12/h3-4,7H,5-6,13H2,1-2H3,(H,14,16)
InChIKeyAUILJLHDESJFGZ-UHFFFAOYSA-N
MW350.24 g/mol
LogP0.65
Rot. Bonds5

About 5-amino-2-bromo-N-[2-(dimethylsulfamoyl)ethyl]benzamide

5-amino-2-bromo-N-[2-(dimethylsulfamoyl)ethyl]benzamide (PubChem CID 106333048) has the molecular formula C11H16BrN3O3S and a molecular weight of 350.24 g/mol. Its IUPAC name is 5-amino-2-bromo-N-[2-(dimethylsulfamoyl)ethyl]benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-[2-(dimethylsulfamoyl)ethyl]benzamide
PubChem CID106333048
Molecular FormulaC11H16BrN3O3S
Molecular Weight350.24 g/mol
Exact Mass349.01
IUPAC Name5-amino-2-bromo-N-[2-(dimethylsulfamoyl)ethyl]benzamide
SMILESCN(C)S(=O)(=O)CCNC(=O)c1cc(N)ccc1Br
InChIInChI=1S/C11H16BrN3O3S/c1-15(2)19(17,18)6-5-14-11(16)9-7-8(13)3-4-10(9)12/h3-4,7H,5-6,13H2,1-2H3,(H,14,16)
InChIKeyAUILJLHDESJFGZ-UHFFFAOYSA-N
XLogP0.65
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-bromo-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 62635721
2,5-dibromo-N-[2-(dimethylsulfamoyl)ethyl]thiophene-3-carboxamide
CID 106339469
4-bromo-3-chloro-N-[2-(dimethylsulfamoyl)ethyl]benzamide
CID 114175557
2-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]acetamide
CID 106333044
5-amino-2-bromo-N-[(2R)-2-hydroxypropyl]benzamide
CID 107211065
N-[2-(dimethylsulfamoyl)ethyl]-2,3-dihydroxybenzamide
CID 106339701
N-[2-(dimethylsulfamoyl)ethyl]-2-sulfanylbenzamide
CID 106340126
2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-5-hydroxybenzamide
CID 106339733
5-amino-2-bromo-N-hex-5-ynylbenzamide
CID 114158305
(2S)-4-[(5-amino-2-bromobenzoyl)amino]-2-hydroxybutanoic acid
CID 114006881
N-[2-(dimethylsulfamoyl)ethyl]-2-hydrazinyl-4-methylbenzamide
CID 106340952
N-[2-(dimethylsulfamoyl)ethyl]-4-hydrazinyl-2-methylbenzamide
CID 106340967

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-[2-(dimethylsulfamoyl)ethyl]benzamide?
The IUPAC name of 5-amino-2-bromo-N-[2-(dimethylsulfamoyl)ethyl]benzamide (CID 106333048) is 5-amino-2-bromo-N-[2-(dimethylsulfamoyl)ethyl]benzamide.
What is the SMILES notation for 5-amino-2-bromo-N-[2-(dimethylsulfamoyl)ethyl]benzamide?
The canonical SMILES for 5-amino-2-bromo-N-[2-(dimethylsulfamoyl)ethyl]benzamide is CN(C)S(=O)(=O)CCNC(=O)c1cc(N)ccc1Br.
What is the InChIKey of 5-amino-2-bromo-N-[2-(dimethylsulfamoyl)ethyl]benzamide?
The InChIKey is AUILJLHDESJFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O3S/c1-15(2)19(17,18)6-5-14-11(16)9-7-8(13)3-4-10(9)12/h3-4,7H,5-6,13H2,1-2H3,(H,14,16).
What are the key properties of 5-amino-2-bromo-N-[2-(dimethylsulfamoyl)ethyl]benzamide?
5-amino-2-bromo-N-[2-(dimethylsulfamoyl)ethyl]benzamide has a molecular weight of 350.24 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-[2-(dimethylsulfamoyl)ethyl]benzamide is sourced from PubChem (CID 106333048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).