3-(methylaminomethyl)-N-(2-phenylethyl)benzenesulfonamide

C16H20N2O2S — CID 106060159

IUPAC3-(methylaminomethyl)-N-(2-phenylethyl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)NCCc2ccccc2)c1
InChIInChI=1S/C16H20N2O2S/c1-17-13-15-8-5-9-16(12-15)21(19,20)18-11-10-14-6-3-2-4-7-14/h2-9,12,17-18H,10-11,13H2,1H3
InChIKeyLEOIMOLEEYBGRA-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.93
Rot. Bonds7

About 3-(methylaminomethyl)-N-(2-phenylethyl)benzenesulfonamide

3-(methylaminomethyl)-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 106060159) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-(methylaminomethyl)-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(methylaminomethyl)-N-(2-phenylethyl)benzenesulfonamide
PubChem CID106060159
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name3-(methylaminomethyl)-N-(2-phenylethyl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)NCCc2ccccc2)c1
InChIInChI=1S/C16H20N2O2S/c1-17-13-15-8-5-9-16(12-15)21(19,20)18-11-10-14-6-3-2-4-7-14/h2-9,12,17-18H,10-11,13H2,1H3
InChIKeyLEOIMOLEEYBGRA-UHFFFAOYSA-N
XLogP1.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-(methylaminomethyl)benzenesulfonamide
CID 114138869
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106095235
N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106058600
3-(methylaminomethyl)-N-(4-methylsulfanylbutyl)benzenesulfonamide
CID 106077992
[3-(2-phenylethylsulfamoyl)phenyl]boronic acid
CID 86039072
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106062682
N-(3-cyclopentylpropyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106094503
N-methyl-1-(3-methylsulfonylphenyl)methanamine
CID 58293040
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106056406
3-(methylaminomethyl)-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 106077063
3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 18097170
3-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 3482248

Frequently Asked Questions

What is the IUPAC name of 3-(methylaminomethyl)-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 3-(methylaminomethyl)-N-(2-phenylethyl)benzenesulfonamide (CID 106060159) is 3-(methylaminomethyl)-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 3-(methylaminomethyl)-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 3-(methylaminomethyl)-N-(2-phenylethyl)benzenesulfonamide is CNCc1cccc(S(=O)(=O)NCCc2ccccc2)c1.
What is the InChIKey of 3-(methylaminomethyl)-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is LEOIMOLEEYBGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-17-13-15-8-5-9-16(12-15)21(19,20)18-11-10-14-6-3-2-4-7-14/h2-9,12,17-18H,10-11,13H2,1H3.
What are the key properties of 3-(methylaminomethyl)-N-(2-phenylethyl)benzenesulfonamide?
3-(methylaminomethyl)-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethyl)-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 106060159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).