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

C23H20N4O4S — CID 2398558

IUPACN-[3-(2-methylanilino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCc1ccccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C23H20N4O4S/c1-15-6-2-3-7-17(15)24-22-23(26-19-9-5-4-8-18(19)25-22)27-32(28,29)16-10-11-20-21(14-16)31-13-12-30-20/h2-11,14H,12-13H2,1H3,(H,24,25)(H,26,27)
InChIKeyPNNKOCKPFMSTPQ-UHFFFAOYSA-N
MW448.50 g/mol
LogP4.25
Rot. Bonds5

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

N-[3-(2-methylanilino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 2398558) has the molecular formula C23H20N4O4S and a molecular weight of 448.50 g/mol. Its IUPAC name is N-[3-(2-methylanilino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-[3-(2-methylanilino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID2398558
Molecular FormulaC23H20N4O4S
Molecular Weight448.50 g/mol
Exact Mass448.12
IUPAC NameN-[3-(2-methylanilino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCc1ccccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C23H20N4O4S/c1-15-6-2-3-7-17(15)24-22-23(26-19-9-5-4-8-18(19)25-22)27-32(28,29)16-10-11-20-21(14-16)31-13-12-30-20/h2-11,14H,12-13H2,1H3,(H,24,25)(H,26,27)
InChIKeyPNNKOCKPFMSTPQ-UHFFFAOYSA-N
XLogP4.25
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2398817
N-[3-(naphthalen-1-ylamino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2398648
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
N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 121149747
4-bromo-N-[3-(2,4-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 25046088
N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-benzodioxole-5-sulfonamide
CID 110778061
N-[3-(4-bromo-2-methylanilino)quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 2033586
N-(5-ethyl-2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110604065
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
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylbenzoic acid
CID 4849086

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylanilino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-[3-(2-methylanilino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 2398558) is N-[3-(2-methylanilino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-[3-(2-methylanilino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-[3-(2-methylanilino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is Cc1ccccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[3-(2-methylanilino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is PNNKOCKPFMSTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4S/c1-15-6-2-3-7-17(15)24-22-23(26-19-9-5-4-8-18(19)25-22)27-32(28,29)16-10-11-20-21(14-16)31-13-12-30-20/h2-11,14H,12-13H2,1H3,(H,24,25)(H,26,27).
What are the key properties of N-[3-(2-methylanilino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-[3-(2-methylanilino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 448.50 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylanilino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 2398558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).