N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C24H22N4O4S — CID 2398817

IUPACN-[3-(2,5-dimethylanilino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCc1ccc(C)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C24H22N4O4S/c1-15-7-8-16(2)20(13-15)27-23-24(26-19-6-4-3-5-18(19)25-23)28-33(29,30)17-9-10-21-22(14-17)32-12-11-31-21/h3-10,13-14H,11-12H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyVJIMLJHUWBFLGZ-UHFFFAOYSA-N
MW462.53 g/mol
LogP4.56
Rot. Bonds5

About N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 2398817) has the molecular formula C24H22N4O4S and a molecular weight of 462.53 g/mol. Its IUPAC name is N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-[3-(2,5-dimethylanilino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID2398817
Molecular FormulaC24H22N4O4S
Molecular Weight462.53 g/mol
Exact Mass462.14
IUPAC NameN-[3-(2,5-dimethylanilino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCc1ccc(C)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C24H22N4O4S/c1-15-7-8-16(2)20(13-15)27-23-24(26-19-6-4-3-5-18(19)25-23)28-33(29,30)17-9-10-21-22(14-17)32-12-11-31-21/h3-10,13-14H,11-12H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyVJIMLJHUWBFLGZ-UHFFFAOYSA-N
XLogP4.56
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide with MolForge

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Related Compounds

N-[3-(2-methylanilino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2398558
4-chloro-N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 25040610
N-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoxalin-2-yl]-3-methylbenzenesulfonamide
CID 1399255
N-[3-(naphthalen-1-ylamino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2398648
N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 1399792
4-bromo-N-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)quinoxalin-2-yl]-3-fluorobenzenesulfonamide
CID 58373548
4-bromo-N-[3-(2,4-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 25046088
N-[6-(2,5-dimethylanilino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113016930
N-(5-ethyl-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110604065
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylbenzoic acid
CID 4849086
N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-benzodioxole-5-sulfonamide
CID 110778061
N-[3-(3,5-dimethylanilino)quinoxalin-2-yl]-2,5-dimethylbenzenesulfonamide
CID 1400516

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 2398817) is N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is Cc1ccc(C)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc3c(c2)OCCO3)c1.
What is the InChIKey of N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is VJIMLJHUWBFLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S/c1-15-7-8-16(2)20(13-15)27-23-24(26-19-6-4-3-5-18(19)25-23)28-33(29,30)17-9-10-21-22(14-17)32-12-11-31-21/h3-10,13-14H,11-12H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 462.53 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 2398817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).