3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-N,N-dimethylbenzenesulfonamide

C18H22N2O4S — CID 34549500

IUPAC3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(Cc1cccc(S(=O)(=O)N(C)C)c1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C18H22N2O4S/c1-19(2)25(21,22)16-6-4-5-14(9-16)11-20(3)12-15-7-8-17-18(10-15)24-13-23-17/h4-10H,11-13H2,1-3H3
InChIKeyLADVUQUJNQUMRQ-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.30
Rot. Bonds6

About 3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-N,N-dimethylbenzenesulfonamide

3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 34549500) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-N,N-dimethylbenzenesulfonamide
PubChem CID34549500
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(Cc1cccc(S(=O)(=O)N(C)C)c1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C18H22N2O4S/c1-19(2)25(21,22)16-6-4-5-14(9-16)11-20(3)12-15-7-8-17-18(10-15)24-13-23-17/h4-10H,11-13H2,1-3H3
InChIKeyLADVUQUJNQUMRQ-UHFFFAOYSA-N
XLogP2.30
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-N,N-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-(3-morpholin-4-ylsulfonylphenyl)methanamine
CID 30137390
N-[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide
CID 18280620
1-(1,3-benzodioxol-5-yl)-N-(dimethylsulfamoyl)-N-methylmethanamine
CID 35312180
N-(1,3-benzodioxol-5-ylmethyl)-3-bromo-N-ethylbenzenesulfonamide
CID 55374293
[1,3-benzodioxol-5-ylmethyl(methyl)amino]methanol
CID 115229115
N'-(1,3-benzodioxol-5-ylmethyl)-N'-methylmethanediamine
CID 115225852
N-(1,3-benzodioxol-5-ylmethyl)-4-(dimethylsulfamoyl)-N-(2-fluorophenyl)benzamide
CID 2226407
4-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]ethoxy]-N,N-dimethylbenzenesulfonamide
CID 24649082
1,3-benzodioxol-5-ylmethyl-[(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-methylazanium
CID 8748105
3-(chloromethyl)-N,N-dimethylbenzenesulfonamide
CID 2106886
N-[3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]propyl]methanesulfonamide
CID 47395008
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-methylbenzenesulfonamide
CID 17402358

Frequently Asked Questions

What is the IUPAC name of 3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-N,N-dimethylbenzenesulfonamide (CID 34549500) is 3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-N,N-dimethylbenzenesulfonamide is CN(Cc1cccc(S(=O)(=O)N(C)C)c1)Cc1ccc2c(c1)OCO2.
What is the InChIKey of 3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is LADVUQUJNQUMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-19(2)25(21,22)16-6-4-5-14(9-16)11-20(3)12-15-7-8-17-18(10-15)24-13-23-17/h4-10H,11-13H2,1-3H3.
What are the key properties of 3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-N,N-dimethylbenzenesulfonamide?
3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 362.45 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 34549500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).