N-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]quinoline-5-sulfonamide

C19H19N3O4S — CID 19007070

IUPACN-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]quinoline-5-sulfonamide
SMILESO=S(=O)(NCCNCc1ccc2c(c1)OCO2)c1cccc2ncccc12
InChIInChI=1S/C19H19N3O4S/c23-27(24,19-5-1-4-16-15(19)3-2-8-21-16)22-10-9-20-12-14-6-7-17-18(11-14)26-13-25-17/h1-8,11,20,22H,9-10,12-13H2
InChIKeyHYJCRKLULMNAHO-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.03
Rot. Bonds7

About N-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]quinoline-5-sulfonamide

N-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]quinoline-5-sulfonamide (PubChem CID 19007070) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]quinoline-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]quinoline-5-sulfonamide
PubChem CID19007070
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]quinoline-5-sulfonamide
SMILESO=S(=O)(NCCNCc1ccc2c(c1)OCO2)c1cccc2ncccc12
InChIInChI=1S/C19H19N3O4S/c23-27(24,19-5-1-4-16-15(19)3-2-8-21-16)22-10-9-20-12-14-6-7-17-18(11-14)26-13-25-17/h1-8,11,20,22H,9-10,12-13H2
InChIKeyHYJCRKLULMNAHO-UHFFFAOYSA-N
XLogP2.03
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]quinoline-5-sulfonamide 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)quinoline-8-sulfonamide
CID 2056026
N-(1,3-benzodioxol-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 99621533
N-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]methanesulfonamide
CID 43144936
zinc;N'-(1,3-benzodioxol-5-ylmethyl)-N-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]ethane-1,2-diamine;dichloride;hydrate
CID 139073879
N-(6-hydroxyhexyl)quinoline-5-sulfonamide
CID 103918476
1-(1,3-benzodioxol-5-yl)-N-(quinoxalin-6-ylmethyl)methanamine
CID 45106893
N-(1,3-benzodioxol-5-ylmethyl)-2-methoxybenzenesulfonamide
CID 51169759
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-bromobenzenesulfonamide
CID 18197816
N-(1,3-benzodioxol-5-ylmethyl)-2-quinolin-8-ylacetamide
CID 51306954
4-(quinolin-5-ylsulfonylamino)butanethioamide
CID 104773649
3-(1,3-benzodioxol-5-ylmethylamino)-N-quinolin-8-ylpropanamide
CID 109022845
2-(1,3-benzodioxol-5-ylmethylamino)-N-methylethanesulfonamide
CID 106333551

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]quinoline-5-sulfonamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]quinoline-5-sulfonamide (CID 19007070) is N-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]quinoline-5-sulfonamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]quinoline-5-sulfonamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]quinoline-5-sulfonamide is O=S(=O)(NCCNCc1ccc2c(c1)OCO2)c1cccc2ncccc12.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]quinoline-5-sulfonamide?
The InChIKey is HYJCRKLULMNAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c23-27(24,19-5-1-4-16-15(19)3-2-8-21-16)22-10-9-20-12-14-6-7-17-18(11-14)26-13-25-17/h1-8,11,20,22H,9-10,12-13H2.
What are the key properties of N-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]quinoline-5-sulfonamide?
N-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]quinoline-5-sulfonamide has a molecular weight of 385.45 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]quinoline-5-sulfonamide is sourced from PubChem (CID 19007070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).