N-[1-(furan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]-N-methylbenzenesulfonamide

C20H15N5O3S — CID 667371

IUPACN-[1-(furan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]-N-methylbenzenesulfonamide
SMILESCN(c1nc2ccccc2n2c(-c3ccco3)nnc12)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H15N5O3S/c1-24(29(26,27)14-8-3-2-4-9-14)19-20-23-22-18(17-12-7-13-28-17)25(20)16-11-6-5-10-15(16)21-19/h2-13H,1H3
InChIKeyNEAXKUDYCSRQCQ-UHFFFAOYSA-N
MW405.44 g/mol
LogP3.36
Rot. Bonds4

About N-[1-(furan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]-N-methylbenzenesulfonamide

N-[1-(furan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]-N-methylbenzenesulfonamide (PubChem CID 667371) has the molecular formula C20H15N5O3S and a molecular weight of 405.44 g/mol. Its IUPAC name is N-[1-(furan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]-N-methylbenzenesulfonamide
PubChem CID667371
Molecular FormulaC20H15N5O3S
Molecular Weight405.44 g/mol
Exact Mass405.09
IUPAC NameN-[1-(furan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]-N-methylbenzenesulfonamide
SMILESCN(c1nc2ccccc2n2c(-c3ccco3)nnc12)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H15N5O3S/c1-24(29(26,27)14-8-3-2-4-9-14)19-20-23-22-18(17-12-7-13-28-17)25(20)16-11-6-5-10-15(16)21-19/h2-13H,1H3
InChIKeyNEAXKUDYCSRQCQ-UHFFFAOYSA-N
XLogP3.36
TPSA93.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[1-(furan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]-N-methylbenzenesulfonamide 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

1-(4-fluorophenyl)-2-(furan-2-yl)-1H-imidazo[4,5-b]quinoxaline
CID 2999175
2-Furanyl-[4-(4-tetrazolo[1,5-a]quinoxalinyl)-1-piperazinyl]methanone
CID 3243388
3-Benzyl-2-(furan-2-yl)imidazo[4,5-b]quinoxaline
CID 662056
1-(furan-2-ylmethyl)-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine
CID 663121
1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline
CID 663429
2-(furan-2-yl)-1-((tetrahydrofuran-2-yl)methyl)-1H-imidazo[4,5-b]quinoxaline
CID 663543
2-(Furan-2-yl)-3-(3-propan-2-yloxypropyl)imidazo[4,5-b]quinoxaline
CID 663645
1-(3-fluorophenyl)-2-(furan-2-yl)-1H-imidazo[4,5-b]quinoxaline
CID 664906
1-(3,4-Dimethyl-benzenesulfonyl)-3-furan-2-ylmethyl-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 2007309
1-(furan-2-ylmethyl)-3-(4-methylphenyl)sulfonyl-2H-imidazo[4,5-b]quinoxaline
CID 2009470
1-(furan-2-ylmethyl)-3-[(3-methylphenyl)sulfonyl]-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 2015810
2-(4-{[5-(6-Methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)furan-2-yl]sulfonyl}piperazin-1-yl)ethanol
CID 4910054

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[1-(furan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]-N-methylbenzenesulfonamide (CID 667371) is N-[1-(furan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(furan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(furan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]-N-methylbenzenesulfonamide is CN(c1nc2ccccc2n2c(-c3ccco3)nnc12)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[1-(furan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]-N-methylbenzenesulfonamide?
The InChIKey is NEAXKUDYCSRQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3S/c1-24(29(26,27)14-8-3-2-4-9-14)19-20-23-22-18(17-12-7-13-28-17)25(20)16-11-6-5-10-15(16)21-19/h2-13H,1H3.
What are the key properties of N-[1-(furan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]-N-methylbenzenesulfonamide?
N-[1-(furan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]-N-methylbenzenesulfonamide has a molecular weight of 405.44 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 667371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).