2-[[(3-ethoxyphenyl)methylamino]methyl]-N,N-dimethylbenzenesulfonamide

C18H24N2O3S — CID 51086135

IUPAC2-[[(3-ethoxyphenyl)methylamino]methyl]-N,N-dimethylbenzenesulfonamide
SMILESCCOc1cccc(CNCc2ccccc2S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H24N2O3S/c1-4-23-17-10-7-8-15(12-17)13-19-14-16-9-5-6-11-18(16)24(21,22)20(2)3/h5-12,19H,4,13-14H2,1-3H3
InChIKeyZSYXWRIBJCXAQT-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.63
Rot. Bonds8

About 2-[[(3-ethoxyphenyl)methylamino]methyl]-N,N-dimethylbenzenesulfonamide

2-[[(3-ethoxyphenyl)methylamino]methyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 51086135) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-[[(3-ethoxyphenyl)methylamino]methyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-[[(3-ethoxyphenyl)methylamino]methyl]-N,N-dimethylbenzenesulfonamide
PubChem CID51086135
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name2-[[(3-ethoxyphenyl)methylamino]methyl]-N,N-dimethylbenzenesulfonamide
SMILESCCOc1cccc(CNCc2ccccc2S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H24N2O3S/c1-4-23-17-10-7-8-15(12-17)13-19-14-16-9-5-6-11-18(16)24(21,22)20(2)3/h5-12,19H,4,13-14H2,1-3H3
InChIKeyZSYXWRIBJCXAQT-UHFFFAOYSA-N
XLogP2.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 60776460
N-[(3-ethoxyphenyl)methyl]-2-ethylsulfonylethanamine
CID 60871815
4-[[(3-ethoxyphenyl)methylamino]methyl]benzene-1,3-diol
CID 60873721
3-[[(3-ethoxyphenyl)methylamino]methyl]-N-methylbenzenesulfonamide
CID 56824122
N-(1,3-benzodioxol-5-ylmethyl)-1-(3-ethoxyphenyl)methanamine;hydrochloride
CID 17291871
N-[(3-ethoxyphenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 54905042
3-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-[(4-ethoxyphenyl)methyl]-1,2-dimethylguanidine
CID 111274721
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3-ethoxyphenyl)methanamine
CID 18437826
4-[[(3-ethoxyphenyl)methylamino]methyl]phenol
CID 60777598
N-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 2227150
2-[[(3-ethoxyphenyl)methylamino]methyl]-4-methylphenol
CID 63324515
1-(3-ethoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62760835

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-ethoxyphenyl)methylamino]methyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-[[(3-ethoxyphenyl)methylamino]methyl]-N,N-dimethylbenzenesulfonamide (CID 51086135) is 2-[[(3-ethoxyphenyl)methylamino]methyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-[[(3-ethoxyphenyl)methylamino]methyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-[[(3-ethoxyphenyl)methylamino]methyl]-N,N-dimethylbenzenesulfonamide is CCOc1cccc(CNCc2ccccc2S(=O)(=O)N(C)C)c1.
What is the InChIKey of 2-[[(3-ethoxyphenyl)methylamino]methyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is ZSYXWRIBJCXAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-4-23-17-10-7-8-15(12-17)13-19-14-16-9-5-6-11-18(16)24(21,22)20(2)3/h5-12,19H,4,13-14H2,1-3H3.
What are the key properties of 2-[[(3-ethoxyphenyl)methylamino]methyl]-N,N-dimethylbenzenesulfonamide?
2-[[(3-ethoxyphenyl)methylamino]methyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 348.47 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-ethoxyphenyl)methylamino]methyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 51086135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).