N-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methanesulfonamide

C11H17BrN2O3S — CID 90022792

IUPACN-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methanesulfonamide
SMILESCN(C)CCOc1ccc(Br)cc1NS(C)(=O)=O
InChIInChI=1S/C11H17BrN2O3S/c1-14(2)6-7-17-11-5-4-9(12)8-10(11)13-18(3,15)16/h4-5,8,13H,6-7H2,1-3H3
InChIKeySTDCIOYESAYEES-UHFFFAOYSA-N
MW337.24 g/mol
LogP1.76
Rot. Bonds6

About N-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methanesulfonamide

N-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methanesulfonamide (PubChem CID 90022792) has the molecular formula C11H17BrN2O3S and a molecular weight of 337.24 g/mol. Its IUPAC name is N-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methanesulfonamide
PubChem CID90022792
Molecular FormulaC11H17BrN2O3S
Molecular Weight337.24 g/mol
Exact Mass336.01
IUPAC NameN-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methanesulfonamide
SMILESCN(C)CCOc1ccc(Br)cc1NS(C)(=O)=O
InChIInChI=1S/C11H17BrN2O3S/c1-14(2)6-7-17-11-5-4-9(12)8-10(11)13-18(3,15)16/h4-5,8,13H,6-7H2,1-3H3
InChIKeySTDCIOYESAYEES-UHFFFAOYSA-N
XLogP1.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-methylphenoxy)-N,N-dimethylethanamine
CID 20679125
2-[[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methylamino]ethanol
CID 39317876
5-bromo-2-[2-(dimethylamino)ethoxy]benzenecarbothioamide
CID 20992605
(1R)-1-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]ethanamine
CID 63367823
N-[[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methyl]propan-2-amine
CID 43277624
4-bromo-1-methoxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 54967949
5-bromo-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide
CID 2561925
N-(4-bromo-2-iodophenyl)methanesulfonamide
CID 119088640
1-[4-bromo-2-[2-(dimethylamino)ethoxy]phenyl]-N-methylethanamine
CID 82975510
4-bromo-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 59068691
N-(4-bromo-2-ethylphenyl)methanesulfonamide
CID 6469152
3-(5-bromo-2-chlorophenoxy)-N,N-dimethylpropan-1-amine
CID 114525429

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methanesulfonamide?
The IUPAC name of N-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methanesulfonamide (CID 90022792) is N-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methanesulfonamide.
What is the SMILES notation for N-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methanesulfonamide?
The canonical SMILES for N-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methanesulfonamide is CN(C)CCOc1ccc(Br)cc1NS(C)(=O)=O.
What is the InChIKey of N-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methanesulfonamide?
The InChIKey is STDCIOYESAYEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O3S/c1-14(2)6-7-17-11-5-4-9(12)8-10(11)13-18(3,15)16/h4-5,8,13H,6-7H2,1-3H3.
What are the key properties of N-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methanesulfonamide?
N-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methanesulfonamide has a molecular weight of 337.24 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methanesulfonamide is sourced from PubChem (CID 90022792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).