N-(1,3-benzodioxol-5-ylmethyl)quinoline-8-sulfonamide

C17H14N2O4S — CID 2056026

IUPACN-(1,3-benzodioxol-5-ylmethyl)quinoline-8-sulfonamide
SMILESO=S(=O)(NCc1ccc2c(c1)OCO2)c1cccc2cccnc12
InChIInChI=1S/C17H14N2O4S/c20-24(21,16-5-1-3-13-4-2-8-18-17(13)16)19-10-12-6-7-14-15(9-12)23-11-22-14/h1-9,19H,10-11H2
InChIKeyXHGMGANVHATTCQ-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.44
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)quinoline-8-sulfonamide

N-(1,3-benzodioxol-5-ylmethyl)quinoline-8-sulfonamide (PubChem CID 2056026) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)quinoline-8-sulfonamide
PubChem CID2056026
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)quinoline-8-sulfonamide
SMILESO=S(=O)(NCc1ccc2c(c1)OCO2)c1cccc2cccnc12
InChIInChI=1S/C17H14N2O4S/c20-24(21,16-5-1-3-13-4-2-8-18-17(13)16)19-10-12-6-7-14-15(9-12)23-11-22-14/h1-9,19H,10-11H2
InChIKeyXHGMGANVHATTCQ-UHFFFAOYSA-N
XLogP2.44
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-quinolin-8-ylbenzamide
CID 17425201
N-(1,3-benzodioxol-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 99621533
N-[8-(1,3-benzodioxol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]quinoline-8-sulfonamide
CID 45144929
N-[(3-fluoro-4-methylphenyl)methyl]quinoline-8-sulfonamide
CID 4685114
N-(1,3-benzodioxol-5-ylmethyl)-2-quinolin-8-ylacetamide
CID 51306954
N-[(3,4-diethoxyphenyl)methyl]quinoline-8-sulfonamide
CID 22206219
N-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]quinoline-5-sulfonamide
CID 19007070
N-(1,3-benzodioxol-5-ylmethyl)-2-methoxybenzenesulfonamide
CID 51169759
N-(1,3-benzodioxol-5-ylmethyl)-2-nitrobenzenesulfonamide
CID 591042
N-(2-quinolin-8-yloxyethyl)-1,3-benzodioxole-5-sulfonamide
CID 113102285
N-[(4-pyrazol-1-ylphenyl)methyl]quinoline-8-sulfonamide
CID 22205174
5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 61105229

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)quinoline-8-sulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)quinoline-8-sulfonamide (CID 2056026) is N-(1,3-benzodioxol-5-ylmethyl)quinoline-8-sulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)quinoline-8-sulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)quinoline-8-sulfonamide is O=S(=O)(NCc1ccc2c(c1)OCO2)c1cccc2cccnc12.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)quinoline-8-sulfonamide?
The InChIKey is XHGMGANVHATTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/c20-24(21,16-5-1-3-13-4-2-8-18-17(13)16)19-10-12-6-7-14-15(9-12)23-11-22-14/h1-9,19H,10-11H2.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)quinoline-8-sulfonamide?
N-(1,3-benzodioxol-5-ylmethyl)quinoline-8-sulfonamide has a molecular weight of 342.38 g/mol, XLogP of 2.44, 4 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-ylmethyl)quinoline-8-sulfonamide is sourced from PubChem (CID 2056026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).