N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C24H22N2O5S — CID 16927386

IUPACN-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=C1CCc2cc(NS(=O)(=O)c3ccc4c(c3)OCCO4)ccc2N1Cc1ccccc1
InChIInChI=1S/C24H22N2O5S/c27-24-11-6-18-14-19(7-9-21(18)26(24)16-17-4-2-1-3-5-17)25-32(28,29)20-8-10-22-23(15-20)31-13-12-30-22/h1-5,7-10,14-15,25H,6,11-13,16H2
InChIKeyRIIJBLUEDHNUMV-UHFFFAOYSA-N
MW450.52 g/mol
LogP3.74
Rot. Bonds5

About N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 16927386) has the molecular formula C24H22N2O5S and a molecular weight of 450.52 g/mol. Its IUPAC name is N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID16927386
Molecular FormulaC24H22N2O5S
Molecular Weight450.52 g/mol
Exact Mass450.12
IUPAC NameN-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=C1CCc2cc(NS(=O)(=O)c3ccc4c(c3)OCCO4)ccc2N1Cc1ccccc1
InChIInChI=1S/C24H22N2O5S/c27-24-11-6-18-14-19(7-9-21(18)26(24)16-17-4-2-1-3-5-17)25-32(28,29)20-8-10-22-23(15-20)31-13-12-30-22/h1-5,7-10,14-15,25H,6,11-13,16H2
InChIKeyRIIJBLUEDHNUMV-UHFFFAOYSA-N
XLogP3.74
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide with MolForge

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Related Compounds

N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-nitrobenzenesulfonamide
CID 16927385
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-chlorothiophene-2-sulfonamide
CID 16927394
N-[4-(benzylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 112981976
N-naphthalen-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846619
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 7635815
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42388536
N-(1-methyl-2,3-dihydroindol-5-yl)-1,3-benzodioxole-5-sulfonamide
CID 110729382
3-chloro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 16927292
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51177885
N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 43955894
N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propylbenzenesulfonamide
CID 20933642
4-chloro-N-[1-(2-methylpropyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 16927551

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 16927386) is N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is O=C1CCc2cc(NS(=O)(=O)c3ccc4c(c3)OCCO4)ccc2N1Cc1ccccc1.
What is the InChIKey of N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is RIIJBLUEDHNUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5S/c27-24-11-6-18-14-19(7-9-21(18)26(24)16-17-4-2-1-3-5-17)25-32(28,29)20-8-10-22-23(15-20)31-13-12-30-22/h1-5,7-10,14-15,25H,6,11-13,16H2.
What are the key properties of N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 450.52 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 16927386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).