5-amino-2-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide

C11H18BrN3O2S — CID 65207033

IUPAC5-amino-2-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
SMILESCN(C)CCN(C)S(=O)(=O)c1cc(N)ccc1Br
InChIInChI=1S/C11H18BrN3O2S/c1-14(2)6-7-15(3)18(16,17)11-8-9(13)4-5-10(11)12/h4-5,8H,6-7,13H2,1-3H3
InChIKeyVSBKXGWQGLSOCO-UHFFFAOYSA-N
MW336.26 g/mol
LogP1.21
Rot. Bonds5

About 5-amino-2-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide

5-amino-2-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide (PubChem CID 65207033) has the molecular formula C11H18BrN3O2S and a molecular weight of 336.26 g/mol. Its IUPAC name is 5-amino-2-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
PubChem CID65207033
Molecular FormulaC11H18BrN3O2S
Molecular Weight336.26 g/mol
Exact Mass335.03
IUPAC Name5-amino-2-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
SMILESCN(C)CCN(C)S(=O)(=O)c1cc(N)ccc1Br
InChIInChI=1S/C11H18BrN3O2S/c1-14(2)6-7-15(3)18(16,17)11-8-9(13)4-5-10(11)12/h4-5,8H,6-7,13H2,1-3H3
InChIKeyVSBKXGWQGLSOCO-UHFFFAOYSA-N
XLogP1.21
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
CID 63700203
5-amino-2-bromo-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81052656
5-amino-2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79476559
methyl 2-[(5-amino-2-bromophenyl)sulfonyl-methylamino]acetate
CID 65202048
2-[(5-amino-2-bromophenyl)sulfonyl-methylamino]-N-tert-butylacetamide
CID 65207012
5-amino-2-bromo-N-methyl-N-pentan-3-ylbenzenesulfonamide
CID 65206520
5-amino-2-bromo-N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 65206521
4-amino-2-[3-(dimethylamino)propyl-methylsulfamoyl]benzoic acid
CID 102931253
2-bromo-N-[2-(dimethylamino)ethyl]-4-hydroxy-N-methylbenzenesulfonamide
CID 21404251
N-(3-aminopropyl)-2,5-dibromo-N-methylbenzenesulfonamide
CID 113285756
5-amino-2-bromo-N-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 65206643
5-amino-2-bromo-N-(4-fluorophenyl)-N-methylbenzenesulfonamide
CID 65207218

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide (CID 65207033) is 5-amino-2-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide is CN(C)CCN(C)S(=O)(=O)c1cc(N)ccc1Br.
What is the InChIKey of 5-amino-2-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide?
The InChIKey is VSBKXGWQGLSOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O2S/c1-14(2)6-7-15(3)18(16,17)11-8-9(13)4-5-10(11)12/h4-5,8H,6-7,13H2,1-3H3.
What are the key properties of 5-amino-2-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide?
5-amino-2-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide has a molecular weight of 336.26 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 65207033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).