1-bromo-N-[[2-[(dimethylamino)methyl]phenyl]methyl]methanesulfonamide

C11H17BrN2O2S — CID 83084853

IUPAC1-bromo-N-[[2-[(dimethylamino)methyl]phenyl]methyl]methanesulfonamide
SMILESCN(C)Cc1ccccc1CNS(=O)(=O)CBr
InChIInChI=1S/C11H17BrN2O2S/c1-14(2)8-11-6-4-3-5-10(11)7-13-17(15,16)9-12/h3-6,13H,7-9H2,1-2H3
InChIKeyYMZWXKIZWZUJFD-UHFFFAOYSA-N
MW321.24 g/mol
LogP1.52
Rot. Bonds6

About 1-bromo-N-[[2-[(dimethylamino)methyl]phenyl]methyl]methanesulfonamide

1-bromo-N-[[2-[(dimethylamino)methyl]phenyl]methyl]methanesulfonamide (PubChem CID 83084853) has the molecular formula C11H17BrN2O2S and a molecular weight of 321.24 g/mol. Its IUPAC name is 1-bromo-N-[[2-[(dimethylamino)methyl]phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-[[2-[(dimethylamino)methyl]phenyl]methyl]methanesulfonamide
PubChem CID83084853
Molecular FormulaC11H17BrN2O2S
Molecular Weight321.24 g/mol
Exact Mass320.02
IUPAC Name1-bromo-N-[[2-[(dimethylamino)methyl]phenyl]methyl]methanesulfonamide
SMILESCN(C)Cc1ccccc1CNS(=O)(=O)CBr
InChIInChI=1S/C11H17BrN2O2S/c1-14(2)8-11-6-4-3-5-10(11)7-13-17(15,16)9-12/h3-6,13H,7-9H2,1-2H3
InChIKeyYMZWXKIZWZUJFD-UHFFFAOYSA-N
XLogP1.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-bromo-N-[[2-[(dimethylamino)methyl]phenyl]methyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-fluorobenzenesulfonamide
CID 26542292
1-chloro-N-[[2-(diethylaminomethyl)phenyl]methyl]methanesulfonamide
CID 63665544
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3,4-dihydronaphthalene-2-sulfonamide
CID 51249518
2-[[2-(diethylaminomethyl)phenyl]methylsulfamoyl]acetic acid
CID 43362203
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26542362
1-[2-[[2-[(dimethylamino)methyl]phenyl]methyl]phenyl]-N,N-dimethylmethanamine
CID 167700248
1-bromo-N-[[4-(diethylaminomethyl)phenyl]methyl]methanesulfonamide
CID 83085394
1-chloro-N-[2-[(dimethylamino)methyl]phenyl]methanesulfonamide
CID 63665572
2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119835483
3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 61258455
1-[2-[(dimethylamino)methyl]phenyl]-N-[(2,3-dimethylphenyl)methyl]methanamine
CID 60669298
[2-[(dimethylamino)methyl]phenyl]methanamine
CID 4962718

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-[[2-[(dimethylamino)methyl]phenyl]methyl]methanesulfonamide?
The IUPAC name of 1-bromo-N-[[2-[(dimethylamino)methyl]phenyl]methyl]methanesulfonamide (CID 83084853) is 1-bromo-N-[[2-[(dimethylamino)methyl]phenyl]methyl]methanesulfonamide.
What is the SMILES notation for 1-bromo-N-[[2-[(dimethylamino)methyl]phenyl]methyl]methanesulfonamide?
The canonical SMILES for 1-bromo-N-[[2-[(dimethylamino)methyl]phenyl]methyl]methanesulfonamide is CN(C)Cc1ccccc1CNS(=O)(=O)CBr.
What is the InChIKey of 1-bromo-N-[[2-[(dimethylamino)methyl]phenyl]methyl]methanesulfonamide?
The InChIKey is YMZWXKIZWZUJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S/c1-14(2)8-11-6-4-3-5-10(11)7-13-17(15,16)9-12/h3-6,13H,7-9H2,1-2H3.
What are the key properties of 1-bromo-N-[[2-[(dimethylamino)methyl]phenyl]methyl]methanesulfonamide?
1-bromo-N-[[2-[(dimethylamino)methyl]phenyl]methyl]methanesulfonamide has a molecular weight of 321.24 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-[[2-[(dimethylamino)methyl]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 83084853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).