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

C19H16F2N4O2S2 — CID 22584837

IUPAC4-fluoro-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzenesulfonamide
SMILESCc1c(CCNS(=O)(=O)c2ccc(F)cc2)sc2nc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C19H16F2N4O2S2/c1-12-17(10-11-22-29(26,27)16-8-6-15(21)7-9-16)28-19-23-18(24-25(12)19)13-2-4-14(20)5-3-13/h2-9,22H,10-11H2,1H3
InChIKeyHRCPOWXOFAXJQX-UHFFFAOYSA-N
MW434.49 g/mol
LogP3.57
Rot. Bonds6

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

4-fluoro-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzenesulfonamide (PubChem CID 22584837) has the molecular formula C19H16F2N4O2S2 and a molecular weight of 434.49 g/mol. Its IUPAC name is 4-fluoro-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzenesulfonamide
PubChem CID22584837
Molecular FormulaC19H16F2N4O2S2
Molecular Weight434.49 g/mol
Exact Mass434.07
IUPAC Name4-fluoro-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzenesulfonamide
SMILESCc1c(CCNS(=O)(=O)c2ccc(F)cc2)sc2nc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C19H16F2N4O2S2/c1-12-17(10-11-22-29(26,27)16-8-6-15(21)7-9-16)28-19-23-18(24-25(12)19)13-2-4-14(20)5-3-13/h2-9,22H,10-11H2,1H3
InChIKeyHRCPOWXOFAXJQX-UHFFFAOYSA-N
XLogP3.57
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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)-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
N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]thiophene-2-sulfonamide
CID 22584840
N-[2-[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-4-ethoxybenzenesulfonamide
CID 22584853
2-(4-fluorophenyl)-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]acetamide
CID 7287107
N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-4-phenylbenzenesulfonamide
CID 22584384
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
4-chloro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide
CID 22584380
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 7503062
3-chloro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide
CID 22584379
4-fluoro-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 7518293
4-chloro-N-[2-[6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide
CID 7287056

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzenesulfonamide?
The IUPAC name of 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) is 4-fluoro-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzenesulfonamide is Cc1c(CCNS(=O)(=O)c2ccc(F)cc2)sc2nc(-c3ccc(F)cc3)nn12.
What is the InChIKey of 4-fluoro-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzenesulfonamide?
The InChIKey is HRCPOWXOFAXJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O2S2/c1-12-17(10-11-22-29(26,27)16-8-6-15(21)7-9-16)28-19-23-18(24-25(12)19)13-2-4-14(20)5-3-13/h2-9,22H,10-11H2,1H3.
What are the key properties of 4-fluoro-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzenesulfonamide?
4-fluoro-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzenesulfonamide has a molecular weight of 434.49 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 22584837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).