N-(2-quinolin-8-yloxyethyl)-1,3-benzodioxole-5-sulfonamide

C18H16N2O5S — CID 113102285

IUPACN-(2-quinolin-8-yloxyethyl)-1,3-benzodioxole-5-sulfonamide
SMILESO=S(=O)(NCCOc1cccc2cccnc12)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H16N2O5S/c21-26(22,14-6-7-15-17(11-14)25-12-24-15)20-9-10-23-16-5-1-3-13-4-2-8-19-18(13)16/h1-8,11,20H,9-10,12H2
InChIKeyAIGVEQBYLSPBRH-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.32
Rot. Bonds6

About N-(2-quinolin-8-yloxyethyl)-1,3-benzodioxole-5-sulfonamide

N-(2-quinolin-8-yloxyethyl)-1,3-benzodioxole-5-sulfonamide (PubChem CID 113102285) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is N-(2-quinolin-8-yloxyethyl)-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-quinolin-8-yloxyethyl)-1,3-benzodioxole-5-sulfonamide
PubChem CID113102285
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC NameN-(2-quinolin-8-yloxyethyl)-1,3-benzodioxole-5-sulfonamide
SMILESO=S(=O)(NCCOc1cccc2cccnc12)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H16N2O5S/c21-26(22,14-6-7-15-17(11-14)25-12-24-15)20-9-10-23-16-5-1-3-13-4-2-8-19-18(13)16/h1-8,11,20H,9-10,12H2
InChIKeyAIGVEQBYLSPBRH-UHFFFAOYSA-N
XLogP2.32
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
CID 113102271
4-chloro-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
CID 30206083
3-methylsulfonyl-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide
CID 56541916
4-propan-2-yloxy-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
CID 113102304
N-(2-propan-2-yloxyethyl)-1,3-benzodioxole-5-sulfonamide
CID 110602847
4-(3-chloropropyl)-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide
CID 56541471
N-[2-(3-tert-butylphenoxy)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 113100503
N-[2-(4-methylphenoxy)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 113099181
N-(1,3-benzodioxol-5-ylmethyl)quinoline-8-sulfonamide
CID 2056026
N-[2-(4-tert-butylphenoxy)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 113100545
ethyl 4-(3-quinolin-8-yloxypropylsulfamoyl)benzoate
CID 56541641
3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-quinolin-8-ylbenzamide
CID 17425201

Frequently Asked Questions

What is the IUPAC name of N-(2-quinolin-8-yloxyethyl)-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of N-(2-quinolin-8-yloxyethyl)-1,3-benzodioxole-5-sulfonamide (CID 113102285) is N-(2-quinolin-8-yloxyethyl)-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for N-(2-quinolin-8-yloxyethyl)-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for N-(2-quinolin-8-yloxyethyl)-1,3-benzodioxole-5-sulfonamide is O=S(=O)(NCCOc1cccc2cccnc12)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(2-quinolin-8-yloxyethyl)-1,3-benzodioxole-5-sulfonamide?
The InChIKey is AIGVEQBYLSPBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S/c21-26(22,14-6-7-15-17(11-14)25-12-24-15)20-9-10-23-16-5-1-3-13-4-2-8-19-18(13)16/h1-8,11,20H,9-10,12H2.
What are the key properties of N-(2-quinolin-8-yloxyethyl)-1,3-benzodioxole-5-sulfonamide?
N-(2-quinolin-8-yloxyethyl)-1,3-benzodioxole-5-sulfonamide has a molecular weight of 372.40 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-quinolin-8-yloxyethyl)-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 113102285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).