N-[3-(naphthalen-1-ylamino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C26H20N4O4S — CID 2398648

IUPACN-[3-(naphthalen-1-ylamino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Nc1cccc2ccccc12)c1ccc2c(c1)OCCO2
InChIInChI=1S/C26H20N4O4S/c31-35(32,18-12-13-23-24(16-18)34-15-14-33-23)30-26-25(28-21-9-3-4-10-22(21)29-26)27-20-11-5-7-17-6-1-2-8-19(17)20/h1-13,16H,14-15H2,(H,27,28)(H,29,30)
InChIKeyIXYCHVVAXSORBD-UHFFFAOYSA-N
MW484.54 g/mol
LogP5.10
Rot. Bonds5

About N-[3-(naphthalen-1-ylamino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-[3-(naphthalen-1-ylamino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 2398648) has the molecular formula C26H20N4O4S and a molecular weight of 484.54 g/mol. Its IUPAC name is N-[3-(naphthalen-1-ylamino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-[3-(naphthalen-1-ylamino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID2398648
Molecular FormulaC26H20N4O4S
Molecular Weight484.54 g/mol
Exact Mass484.12
IUPAC NameN-[3-(naphthalen-1-ylamino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1Nc1cccc2ccccc12)c1ccc2c(c1)OCCO2
InChIInChI=1S/C26H20N4O4S/c31-35(32,18-12-13-23-24(16-18)34-15-14-33-23)30-26-25(28-21-9-3-4-10-22(21)29-26)27-20-11-5-7-17-6-1-2-8-19(17)20/h1-13,16H,14-15H2,(H,27,28)(H,29,30)
InChIKeyIXYCHVVAXSORBD-UHFFFAOYSA-N
XLogP5.10
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.54
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(2-methylanilino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2398558
N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2398817
N-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoxalin-2-yl]-3-methylbenzenesulfonamide
CID 1399255
4-bromo-N-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoxalin-2-yl]-3-fluorobenzenesulfonamide
CID 58373548
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate
CID 2362378
N-naphthalen-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846619
N-(1-naphthalen-1-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 46799948
N-(2,3-dichlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1090608
N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2444334
N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1148581
N-(6-bromo-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 43520660
N-(1H-indazol-7-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 24653999

Frequently Asked Questions

What is the IUPAC name of N-[3-(naphthalen-1-ylamino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-[3-(naphthalen-1-ylamino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 2398648) is N-[3-(naphthalen-1-ylamino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-[3-(naphthalen-1-ylamino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-[3-(naphthalen-1-ylamino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is O=S(=O)(Nc1nc2ccccc2nc1Nc1cccc2ccccc12)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[3-(naphthalen-1-ylamino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is IXYCHVVAXSORBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O4S/c31-35(32,18-12-13-23-24(16-18)34-15-14-33-23)30-26-25(28-21-9-3-4-10-22(21)29-26)27-20-11-5-7-17-6-1-2-8-19(17)20/h1-13,16H,14-15H2,(H,27,28)(H,29,30).
What are the key properties of N-[3-(naphthalen-1-ylamino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-[3-(naphthalen-1-ylamino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 484.54 g/mol, XLogP of 5.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(naphthalen-1-ylamino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 2398648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).