N-[2-(benzenesulfonamido)ethyl]-1,3-benzodioxole-5-carboxamide

C16H16N2O5S — CID 108574611

IUPACN-[2-(benzenesulfonamido)ethyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCCNS(=O)(=O)c1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H16N2O5S/c19-16(12-6-7-14-15(10-12)23-11-22-14)17-8-9-18-24(20,21)13-4-2-1-3-5-13/h1-7,10,18H,8-9,11H2,(H,17,19)
InChIKeyPHOSVUXIRRSZDC-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.12
Rot. Bonds6

About N-[2-(benzenesulfonamido)ethyl]-1,3-benzodioxole-5-carboxamide

N-[2-(benzenesulfonamido)ethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 108574611) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is N-[2-(benzenesulfonamido)ethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonamido)ethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID108574611
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC NameN-[2-(benzenesulfonamido)ethyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCCNS(=O)(=O)c1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H16N2O5S/c19-16(12-6-7-14-15(10-12)23-11-22-14)17-8-9-18-24(20,21)13-4-2-1-3-5-13/h1-7,10,18H,8-9,11H2,(H,17,19)
InChIKeyPHOSVUXIRRSZDC-UHFFFAOYSA-N
XLogP1.12
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(benzenesulfonamido)ethyl]-1,3-benzodioxole-5-carboxamide 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-[2-(benzenesulfonamido)ethyl]-3-bromobenzamide
CID 108571471
N-[2-(N-methylanilino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 25395257
N-[4-(butylsulfamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 2186552
N-(3-sulfamoylpropyl)-1,3-benzodioxole-5-carboxamide
CID 47336935
N-[3-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-3-oxopropyl]-4-methylbenzenesulfonamide
CID 9400978
N-(3-amino-3-oxopropyl)-1,3-benzodioxole-5-carboxamide
CID 82083552
N-[2-(dimethylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 892533
N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 113066849
N-[2-(4-oxopentanoylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 108542975
3-(2-benzamidoethylsulfamoyl)benzenesulfonyl fluoride
CID 166407089
2-[2-(benzenesulfonamido)ethylcarbamoyl]benzoic acid
CID 113083408
N-[4-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-4-oxobutyl]benzamide
CID 39761126

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonamido)ethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-(benzenesulfonamido)ethyl]-1,3-benzodioxole-5-carboxamide (CID 108574611) is N-[2-(benzenesulfonamido)ethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-(benzenesulfonamido)ethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-(benzenesulfonamido)ethyl]-1,3-benzodioxole-5-carboxamide is O=C(NCCNS(=O)(=O)c1ccccc1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-(benzenesulfonamido)ethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is PHOSVUXIRRSZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c19-16(12-6-7-14-15(10-12)23-11-22-14)17-8-9-18-24(20,21)13-4-2-1-3-5-13/h1-7,10,18H,8-9,11H2,(H,17,19).
What are the key properties of N-[2-(benzenesulfonamido)ethyl]-1,3-benzodioxole-5-carboxamide?
N-[2-(benzenesulfonamido)ethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonamido)ethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 108574611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).