3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-quinolin-8-ylbenzamide

C24H19N3O5S — CID 17425201

IUPAC3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-quinolin-8-ylbenzamide
SMILESO=C(Nc1cccc2cccnc12)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C24H19N3O5S/c28-24(27-20-8-2-4-17-6-3-11-25-23(17)20)18-5-1-7-19(13-18)33(29,30)26-14-16-9-10-21-22(12-16)32-15-31-21/h1-13,26H,14-15H2,(H,27,28)
InChIKeyPDYVNCCACQWHGK-UHFFFAOYSA-N
MW461.50 g/mol
LogP3.69
Rot. Bonds6

About 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-quinolin-8-ylbenzamide

3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-quinolin-8-ylbenzamide (PubChem CID 17425201) has the molecular formula C24H19N3O5S and a molecular weight of 461.50 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-quinolin-8-ylbenzamide
PubChem CID17425201
Molecular FormulaC24H19N3O5S
Molecular Weight461.50 g/mol
Exact Mass461.10
IUPAC Name3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-quinolin-8-ylbenzamide
SMILESO=C(Nc1cccc2cccnc12)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C24H19N3O5S/c28-24(27-20-8-2-4-17-6-3-11-25-23(17)20)18-5-1-7-19(13-18)33(29,30)26-14-16-9-10-21-22(12-16)32-15-31-21/h1-13,26H,14-15H2,(H,27,28)
InChIKeyPDYVNCCACQWHGK-UHFFFAOYSA-N
XLogP3.69
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-quinolin-8-ylbenzamide 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
3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 24661271
6-(1,3-benzodioxol-5-ylmethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109349300
3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-prop-2-enylbenzamide
CID 31529071
3-(1,3-benzodioxol-5-ylmethylamino)-N-quinolin-8-ylpropanamide
CID 109022845
3-(propan-2-ylsulfamoyl)-N-quinolin-8-ylbenzamide
CID 31309454
3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 24647747
N-(1,3-benzodioxol-5-ylmethyl)-2-quinolin-8-ylacetamide
CID 51306954
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-quinolin-8-ylbenzamide
CID 41491213
N-(1,3-benzodioxol-5-ylmethyl)-6-(quinolin-8-ylamino)pyridazine-3-carboxamide
CID 109120487
3-[methyl(propan-2-yl)sulfamoyl]-N-quinolin-8-ylbenzamide
CID 26123442
3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26065569

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-quinolin-8-ylbenzamide?
The IUPAC name of 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-quinolin-8-ylbenzamide (CID 17425201) is 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-quinolin-8-ylbenzamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-quinolin-8-ylbenzamide is O=C(Nc1cccc2cccnc12)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1.
What is the InChIKey of 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-quinolin-8-ylbenzamide?
The InChIKey is PDYVNCCACQWHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O5S/c28-24(27-20-8-2-4-17-6-3-11-25-23(17)20)18-5-1-7-19(13-18)33(29,30)26-14-16-9-10-21-22(12-16)32-15-31-21/h1-13,26H,14-15H2,(H,27,28).
What are the key properties of 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-quinolin-8-ylbenzamide?
3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-quinolin-8-ylbenzamide has a molecular weight of 461.50 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 17425201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).