N-(1,3-benzodioxol-5-yl)-4-ethoxybenzenesulfonamide

C15H15NO5S — CID 975650

IUPACN-(1,3-benzodioxol-5-yl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C15H15NO5S/c1-2-19-12-4-6-13(7-5-12)22(17,18)16-11-3-8-14-15(9-11)21-10-20-14/h3-9,16H,2,10H2,1H3
InChIKeyUEEKAHIFVKAGFG-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.61
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-4-ethoxybenzenesulfonamide

N-(1,3-benzodioxol-5-yl)-4-ethoxybenzenesulfonamide (PubChem CID 975650) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-ethoxybenzenesulfonamide
PubChem CID975650
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C15H15NO5S/c1-2-19-12-4-6-13(7-5-12)22(17,18)16-11-3-8-14-15(9-11)21-10-20-14/h3-9,16H,2,10H2,1H3
InChIKeyUEEKAHIFVKAGFG-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_C(5)', 'substructure': 'N/A'}

Analyze N-(1,3-benzodioxol-5-yl)-4-ethoxybenzenesulfonamide 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-yl)-4-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
CID 110757773
N-(1,3-benzodioxol-5-yl)-3-chloro-4-ethoxybenzenesulfonamide
CID 6491906
ethyl 4-(1,3-benzodioxol-5-ylsulfamoyl)benzoate
CID 2106204
N-(1,3-benzodioxol-5-ylmethyl)-4-ethoxybenzenesulfonamide
CID 741468
N-(1,3-benzodioxol-5-yl)-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 3861859
N-(1,3-benzodioxol-5-yl)-4-cyclopentyloxybenzenesulfonamide
CID 110426256
N-(1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide
CID 718546
4-ethoxy-N-naphthalen-2-ylbenzenesulfonamide
CID 7938656
(2S)-2-[4-(1,3-benzodioxol-5-ylsulfamoyl)phenoxy]-N-propan-2-ylpropanamide
CID 7413187
N-(1,3-benzodioxol-5-yl)-3,4-dimethoxybenzenesulfonamide
CID 768991
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-benzodioxole-5-sulfonamide
CID 110776722
N-(4-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110776965

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-ethoxybenzenesulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-ethoxybenzenesulfonamide (CID 975650) is N-(1,3-benzodioxol-5-yl)-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-ethoxybenzenesulfonamide?
The InChIKey is UEEKAHIFVKAGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S/c1-2-19-12-4-6-13(7-5-12)22(17,18)16-11-3-8-14-15(9-11)21-10-20-14/h3-9,16H,2,10H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-ethoxybenzenesulfonamide?
N-(1,3-benzodioxol-5-yl)-4-ethoxybenzenesulfonamide has a molecular weight of 321.35 g/mol, XLogP of 2.61, 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-yl)-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 975650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).