N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethoxybenzenesulfonamide

C16H17NO6S — CID 1076320

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1OC
InChIInChI=1S/C16H17NO6S/c1-20-13-6-4-12(10-15(13)21-2)24(18,19)17-11-3-5-14-16(9-11)23-8-7-22-14/h3-6,9-10,17H,7-8H2,1-2H3
InChIKeyYKBJUYBHUGFYSE-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.28
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethoxybenzenesulfonamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethoxybenzenesulfonamide (PubChem CID 1076320) has the molecular formula C16H17NO6S and a molecular weight of 351.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethoxybenzenesulfonamide
PubChem CID1076320
Molecular FormulaC16H17NO6S
Molecular Weight351.38 g/mol
Exact Mass351.08
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1OC
InChIInChI=1S/C16H17NO6S/c1-20-13-6-4-12(10-15(13)21-2)24(18,19)17-11-3-5-14-16(9-11)23-8-7-22-14/h3-6,9-10,17H,7-8H2,1-2H3
InChIKeyYKBJUYBHUGFYSE-UHFFFAOYSA-N
XLogP2.28
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethoxybenzenesulfonamide 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

2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
CID 698008
N-ethyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 722337
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzenesulfonamide
CID 732537
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-fluorobenzenesulfonamide
CID 852233
N-(1,3-benzodioxol-5-yl)-4-ethoxybenzenesulfonamide
CID 975650
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1129998
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-difluorobenzenesulfonamide
CID 2376193
N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2428155
N-(3,4-dimethoxyphenyl)-3,4-dimethoxybenzenesulfonamide
CID 1004366
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)phenyl]acetamide
CID 736378
3,4-dimethoxy-N-phenylbenzenesulfonamide
CID 740560
N-(1,3-benzodioxol-5-yl)-4-methoxybenzenesulfonamide
CID 868942

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethoxybenzenesulfonamide (CID 1076320) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1OC.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethoxybenzenesulfonamide?
The InChIKey is YKBJUYBHUGFYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO6S/c1-20-13-6-4-12(10-15(13)21-2)24(18,19)17-11-3-5-14-16(9-11)23-8-7-22-14/h3-6,9-10,17H,7-8H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethoxybenzenesulfonamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethoxybenzenesulfonamide has a molecular weight of 351.38 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 1076320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).