3-[(3-aminophenoxy)methyl]-N,N-dimethylbenzenesulfonamide

C15H18N2O3S — CID 61034603

IUPAC3-[(3-aminophenoxy)methyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(COc2cccc(N)c2)c1
InChIInChI=1S/C15H18N2O3S/c1-17(2)21(18,19)15-8-3-5-12(9-15)11-20-14-7-4-6-13(16)10-14/h3-10H,11,16H2,1-2H3
InChIKeyGZDYIWYWMAPDSS-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.10
Rot. Bonds5

About 3-[(3-aminophenoxy)methyl]-N,N-dimethylbenzenesulfonamide

3-[(3-aminophenoxy)methyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 61034603) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-[(3-aminophenoxy)methyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(3-aminophenoxy)methyl]-N,N-dimethylbenzenesulfonamide
PubChem CID61034603
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name3-[(3-aminophenoxy)methyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(COc2cccc(N)c2)c1
InChIInChI=1S/C15H18N2O3S/c1-17(2)21(18,19)15-8-3-5-12(9-15)11-20-14-7-4-6-13(16)10-14/h3-10H,11,16H2,1-2H3
InChIKeyGZDYIWYWMAPDSS-UHFFFAOYSA-N
XLogP2.10
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.10
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

3-[(3,5-dimethylphenoxy)methyl]-N,N-dimethylbenzenesulfonamide
CID 112787329
3-[(3-formylphenoxy)methyl]-N,N-dimethylbenzenesulfonamide
CID 30024854
3-[[3-(dimethylsulfamoyl)phenyl]methoxy]benzoic acid
CID 45396817
3-(2,2-dimethylpropyl)-N,N-dimethylbenzenesulfonamide
CID 59836579
[3-(dimethylsulfamoyl)phenyl]methyl 5-(dimethylsulfamoyl)-2-methylbenzoate
CID 42986561
3-[(3-aminophenoxy)methyl]benzonitrile
CID 16795875
3-(chloromethyl)-N,N-dimethylbenzenesulfonamide
CID 2106886
3-[(3,5-dimethylphenyl)methoxy]aniline
CID 54909105
[3-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine
CID 43806918
3-[(2-acetyl-4-fluorophenoxy)methyl]-N,N-dimethylbenzenesulfonamide
CID 112787679
3-[(2,2-dimethylhydrazinyl)methyl]-N,N-dimethylbenzenesulfonamide
CID 114280117
1-[3-[(3-aminophenyl)methoxy]phenyl]propan-1-one
CID 174428034

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminophenoxy)methyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[(3-aminophenoxy)methyl]-N,N-dimethylbenzenesulfonamide (CID 61034603) is 3-[(3-aminophenoxy)methyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[(3-aminophenoxy)methyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[(3-aminophenoxy)methyl]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cccc(COc2cccc(N)c2)c1.
What is the InChIKey of 3-[(3-aminophenoxy)methyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is GZDYIWYWMAPDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-17(2)21(18,19)15-8-3-5-12(9-15)11-20-14-7-4-6-13(16)10-14/h3-10H,11,16H2,1-2H3.
What are the key properties of 3-[(3-aminophenoxy)methyl]-N,N-dimethylbenzenesulfonamide?
3-[(3-aminophenoxy)methyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminophenoxy)methyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 61034603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).