4-fluoro-N-[4-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]benzenesulfonamide

C22H16FN5O3S — CID 53125745

IUPAC4-fluoro-N-[4-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]benzenesulfonamide
SMILESCc1nnc2c(Oc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)nc3ccccc3n12
InChIInChI=1S/C22H16FN5O3S/c1-14-25-26-21-22(24-19-4-2-3-5-20(19)28(14)21)31-17-10-8-16(9-11-17)27-32(29,30)18-12-6-15(23)7-13-18/h2-13,27H,1H3
InChIKeyIVBBMMNSSXCZIO-UHFFFAOYSA-N
MW449.47 g/mol
LogP4.32
Rot. Bonds5

About 4-fluoro-N-[4-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]benzenesulfonamide

4-fluoro-N-[4-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]benzenesulfonamide (PubChem CID 53125745) has the molecular formula C22H16FN5O3S and a molecular weight of 449.47 g/mol. Its IUPAC name is 4-fluoro-N-[4-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]benzenesulfonamide
PubChem CID53125745
Molecular FormulaC22H16FN5O3S
Molecular Weight449.47 g/mol
Exact Mass449.10
IUPAC Name4-fluoro-N-[4-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]benzenesulfonamide
SMILESCc1nnc2c(Oc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)nc3ccccc3n12
InChIInChI=1S/C22H16FN5O3S/c1-14-25-26-21-22(24-19-4-2-3-5-20(19)28(14)21)31-17-10-8-16(9-11-17)27-32(29,30)18-12-6-15(23)7-13-18/h2-13,27H,1H3
InChIKeyIVBBMMNSSXCZIO-UHFFFAOYSA-N
XLogP4.32
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-fluoro-N-[4-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]benzenesulfonamide 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

N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-fluorobenzenesulfonamide
CID 108783145
4-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzenesulfonamide
CID 1447983
5-chloro-N-[4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]thiophene-2-sulfonamide
CID 53125724
N-(3-butoxyquinoxalin-2-yl)-4-fluorobenzenesulfonamide
CID 2405355
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
4-[[(Z)-(4-cyano-3-methyl-1-oxopyrido[1,2-a]benzimidazol-2-ylidene)methyl]amino]-N-(4-methoxyphenyl)benzenesulfonamide
CID 25040968
4-fluoro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzenesulfonamide
CID 122312331
N-[3-(4-ethoxyanilino)quinoxalin-2-yl]-4-fluorobenzenesulfonamide
CID 1398916
N-[4-(4-fluorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 16676255
4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide
CID 764850
N-(6-fluoro-3-pyridinyl)-4-methoxybenzenesulfonamide
CID 103775697
4-bromo-N-[4-(2-methoxyphenoxy)phenyl]benzenesulfonamide
CID 1218218

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[4-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]benzenesulfonamide (CID 53125745) is 4-fluoro-N-[4-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[4-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[4-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]benzenesulfonamide is Cc1nnc2c(Oc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)nc3ccccc3n12.
What is the InChIKey of 4-fluoro-N-[4-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]benzenesulfonamide?
The InChIKey is IVBBMMNSSXCZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5O3S/c1-14-25-26-21-22(24-19-4-2-3-5-20(19)28(14)21)31-17-10-8-16(9-11-17)27-32(29,30)18-12-6-15(23)7-13-18/h2-13,27H,1H3.
What are the key properties of 4-fluoro-N-[4-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]benzenesulfonamide?
4-fluoro-N-[4-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]benzenesulfonamide has a molecular weight of 449.47 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]benzenesulfonamide is sourced from PubChem (CID 53125745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).