2-(aminomethyl)-N-benzyl-N-methylbenzenesulfonamide;hydrochloride

C15H19ClN2O2S — CID 69275017

IUPAC2-(aminomethyl)-N-benzyl-N-methylbenzenesulfonamide;hydrochloride
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccccc1CN.Cl
InChIInChI=1S/C15H18N2O2S.ClH/c1-17(12-13-7-3-2-4-8-13)20(18,19)15-10-6-5-9-14(15)11-16;/h2-10H,11-12,16H2,1H3;1H
InChIKeyWAAJXCKZYIYXAN-UHFFFAOYSA-N
MW326.85 g/mol
LogP2.39
Rot. Bonds5

About 2-(aminomethyl)-N-benzyl-N-methylbenzenesulfonamide;hydrochloride

2-(aminomethyl)-N-benzyl-N-methylbenzenesulfonamide;hydrochloride (PubChem CID 69275017) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is 2-(aminomethyl)-N-benzyl-N-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-benzyl-N-methylbenzenesulfonamide;hydrochloride
PubChem CID69275017
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC Name2-(aminomethyl)-N-benzyl-N-methylbenzenesulfonamide;hydrochloride
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccccc1CN.Cl
InChIInChI=1S/C15H18N2O2S.ClH/c1-17(12-13-7-3-2-4-8-13)20(18,19)15-10-6-5-9-14(15)11-16;/h2-10H,11-12,16H2,1H3;1H
InChIKeyWAAJXCKZYIYXAN-UHFFFAOYSA-N
XLogP2.39
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 28544654
5-amino-N-benzyl-2-ethyl-N-methylbenzenesulfonamide
CID 43256238
2-(aminomethyl)-N,N-diethylbenzenesulfonamide
CID 16783834
N-benzyl-5-hydroxy-N-methylnaphthalene-1-sulfonamide
CID 10215206
2-[[2-(aminomethyl)phenyl]sulfonyl-methylamino]-N,N-diethylacetamide
CID 61452012
2-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide
CID 105416124
2-(aminomethyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 61442551
2-amino-N-benzyl-4-methoxy-N-methylbenzenesulfonamide
CID 29278456
4-amino-N-benzyl-2-methoxy-N-methylbenzenesulfonamide
CID 43258003
2-amino-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 61108978
2-(aminomethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 54947074
3-amino-N-benzyl-4-ethyl-N-methylbenzenesulfonamide
CID 43257998

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-benzyl-N-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-benzyl-N-methylbenzenesulfonamide;hydrochloride (CID 69275017) is 2-(aminomethyl)-N-benzyl-N-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-benzyl-N-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-benzyl-N-methylbenzenesulfonamide;hydrochloride is CN(Cc1ccccc1)S(=O)(=O)c1ccccc1CN.Cl.
What is the InChIKey of 2-(aminomethyl)-N-benzyl-N-methylbenzenesulfonamide;hydrochloride?
The InChIKey is WAAJXCKZYIYXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S.ClH/c1-17(12-13-7-3-2-4-8-13)20(18,19)15-10-6-5-9-14(15)11-16;/h2-10H,11-12,16H2,1H3;1H.
What are the key properties of 2-(aminomethyl)-N-benzyl-N-methylbenzenesulfonamide;hydrochloride?
2-(aminomethyl)-N-benzyl-N-methylbenzenesulfonamide;hydrochloride has a molecular weight of 326.85 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-benzyl-N-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 69275017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).