N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C21H19FN4O4S2 — CID 22584843

IUPACN-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCc1c(CCNS(=O)(=O)c2ccc3c(c2)OCCO3)sc2nc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C21H19FN4O4S2/c1-13-19(31-21-24-20(25-26(13)21)14-2-4-15(22)5-3-14)8-9-23-32(27,28)16-6-7-17-18(12-16)30-11-10-29-17/h2-7,12,23H,8-11H2,1H3
InChIKeyFLYJIXUWTUCYOT-UHFFFAOYSA-N
MW474.54 g/mol
LogP3.20
Rot. Bonds6

About N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 22584843) has the molecular formula C21H19FN4O4S2 and a molecular weight of 474.54 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID22584843
Molecular FormulaC21H19FN4O4S2
Molecular Weight474.54 g/mol
Exact Mass474.08
IUPAC NameN-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCc1c(CCNS(=O)(=O)c2ccc3c(c2)OCCO3)sc2nc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C21H19FN4O4S2/c1-13-19(31-21-24-20(25-26(13)21)14-2-4-15(22)5-3-14)8-9-23-32(27,28)16-6-7-17-18(12-16)30-11-10-29-17/h2-7,12,23H,8-11H2,1H3
InChIKeyFLYJIXUWTUCYOT-UHFFFAOYSA-N
XLogP3.20
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide 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

4-fluoro-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzenesulfonamide
CID 22584837
N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]naphthalene-2-sulfonamide
CID 22584839
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 20965729
N-[2-[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-4-ethoxybenzenesulfonamide
CID 22584853
3-fluoro-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide
CID 7287078
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 91907142
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 53163147
N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-4-phenylbenzenesulfonamide
CID 22584384
3-chloro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide
CID 22584379
N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 49460186
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110739533
4-chloro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide
CID 22584380

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 22584843) is N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is Cc1c(CCNS(=O)(=O)c2ccc3c(c2)OCCO3)sc2nc(-c3ccc(F)cc3)nn12.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is FLYJIXUWTUCYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O4S2/c1-13-19(31-21-24-20(25-26(13)21)14-2-4-15(22)5-3-14)8-9-23-32(27,28)16-6-7-17-18(12-16)30-11-10-29-17/h2-7,12,23H,8-11H2,1H3.
What are the key properties of N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 474.54 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 22584843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).