4-[2-[benzyl(methyl)amino]ethoxy]benzenesulfonamide

C16H20N2O3S — CID 34600685

IUPAC4-[2-[benzyl(methyl)amino]ethoxy]benzenesulfonamide
SMILESCN(CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1
InChIInChI=1S/C16H20N2O3S/c1-18(13-14-5-3-2-4-6-14)11-12-21-15-7-9-16(10-8-15)22(17,19)20/h2-10H,11-13H2,1H3,(H2,17,19,20)
InChIKeyPWHMRCWLOIUWGN-UHFFFAOYSA-N
MW320.41 g/mol
LogP1.84
Rot. Bonds7

About 4-[2-[benzyl(methyl)amino]ethoxy]benzenesulfonamide

4-[2-[benzyl(methyl)amino]ethoxy]benzenesulfonamide (PubChem CID 34600685) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 4-[2-[benzyl(methyl)amino]ethoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[benzyl(methyl)amino]ethoxy]benzenesulfonamide
PubChem CID34600685
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name4-[2-[benzyl(methyl)amino]ethoxy]benzenesulfonamide
SMILESCN(CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1
InChIInChI=1S/C16H20N2O3S/c1-18(13-14-5-3-2-4-6-14)11-12-21-15-7-9-16(10-8-15)22(17,19)20/h2-10H,11-13H2,1H3,(H2,17,19,20)
InChIKeyPWHMRCWLOIUWGN-UHFFFAOYSA-N
XLogP1.84
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[2-methoxyethyl(methyl)amino]ethoxy]benzenesulfonamide
CID 47294827
4-[2-(dimethylamino)ethoxy]benzenesulfonamide
CID 22244704
bis[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]methanone
CID 90685991
N,N-dimethyl-4-[2-[methyl(2-phenoxyethyl)amino]ethoxy]benzenesulfonamide
CID 34689424
2-[methyl(2-phenoxyethyl)amino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8754897
N-(2-chlorophenyl)-2-[methyl-[2-(4-sulfamoylphenoxy)ethyl]amino]acetamide
CID 38171543
4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethoxy]benzenesulfonamide
CID 56542585
4-[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]ethoxy]benzenesulfonamide
CID 34716492
4-[2-[methyl(naphthalen-2-yl)amino]ethoxy]benzenesulfonamide
CID 34696726
2-[3-(aminomethyl)phenoxy]-N-benzyl-N-methylethanamine
CID 43253622
(2S)-2-[methyl(2-phenoxyethyl)amino]-N-(4-sulfamoylphenyl)propanamide
CID 8514636
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 126309888

Frequently Asked Questions

What is the IUPAC name of 4-[2-[benzyl(methyl)amino]ethoxy]benzenesulfonamide?
The IUPAC name of 4-[2-[benzyl(methyl)amino]ethoxy]benzenesulfonamide (CID 34600685) is 4-[2-[benzyl(methyl)amino]ethoxy]benzenesulfonamide.
What is the SMILES notation for 4-[2-[benzyl(methyl)amino]ethoxy]benzenesulfonamide?
The canonical SMILES for 4-[2-[benzyl(methyl)amino]ethoxy]benzenesulfonamide is CN(CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1.
What is the InChIKey of 4-[2-[benzyl(methyl)amino]ethoxy]benzenesulfonamide?
The InChIKey is PWHMRCWLOIUWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-18(13-14-5-3-2-4-6-14)11-12-21-15-7-9-16(10-8-15)22(17,19)20/h2-10H,11-13H2,1H3,(H2,17,19,20).
What are the key properties of 4-[2-[benzyl(methyl)amino]ethoxy]benzenesulfonamide?
4-[2-[benzyl(methyl)amino]ethoxy]benzenesulfonamide has a molecular weight of 320.41 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[benzyl(methyl)amino]ethoxy]benzenesulfonamide is sourced from PubChem (CID 34600685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).