N-(1,3-benzodioxol-5-ylmethyl)-2-methoxybenzenesulfonamide

C15H15NO5S — CID 51169759

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C15H15NO5S/c1-19-13-4-2-3-5-15(13)22(17,18)16-9-11-6-7-12-14(8-11)21-10-20-12/h2-8,16H,9-10H2,1H3
InChIKeyWCDNZIVHMQYLLE-UHFFFAOYSA-N
MW321.35 g/mol
LogP1.90
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-2-methoxybenzenesulfonamide

N-(1,3-benzodioxol-5-ylmethyl)-2-methoxybenzenesulfonamide (PubChem CID 51169759) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-methoxybenzenesulfonamide
PubChem CID51169759
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C15H15NO5S/c1-19-13-4-2-3-5-15(13)22(17,18)16-9-11-6-7-12-14(8-11)21-10-20-12/h2-8,16H,9-10H2,1H3
InChIKeyWCDNZIVHMQYLLE-UHFFFAOYSA-N
XLogP1.90
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-ylmethyl)-2-methoxybenzenesulfonamide 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

1-N,3-N-bis(1,3-benzodioxol-5-ylmethyl)-4,6-dimethoxybenzene-1,3-disulfonamide
CID 43845502
3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-4-methoxybenzoic acid
CID 45413467
N-(1,3-benzodioxol-5-ylmethyl)-2-nitrobenzenesulfonamide
CID 591042
N-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 5307755
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 110601258
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-2-methoxybenzenesulfonamide
CID 110601266
N-(1,3-benzodioxol-5-ylmethyl)-5-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)methyl]-2-methoxybenzenesulfonamide
CID 46296331
N-[(3-fluoro-4-methoxyphenyl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110780040
N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-6-methoxy-2,4-dimethylbenzenesulfonamide
CID 1288488
N-[(2-hydroxy-3,4-dimethyl-2H-chromen-6-yl)methyl]-2-methoxybenzenesulfonamide
CID 123233091
N-(1,3-benzodioxol-5-ylmethyl)methanesulfonamide
CID 591044
N-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide
CID 39791888

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-methoxybenzenesulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-methoxybenzenesulfonamide (CID 51169759) is N-(1,3-benzodioxol-5-ylmethyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-methoxybenzenesulfonamide?
The InChIKey is WCDNZIVHMQYLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S/c1-19-13-4-2-3-5-15(13)22(17,18)16-9-11-6-7-12-14(8-11)21-10-20-12/h2-8,16H,9-10H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-methoxybenzenesulfonamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-methoxybenzenesulfonamide has a molecular weight of 321.35 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 51169759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).