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

C23H19FN4O2S2 — CID 22584839

IUPACN-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]naphthalene-2-sulfonamide
SMILESCc1c(CCNS(=O)(=O)c2ccc3ccccc3c2)sc2nc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C23H19FN4O2S2/c1-15-21(31-23-26-22(27-28(15)23)17-6-9-19(24)10-7-17)12-13-25-32(29,30)20-11-8-16-4-2-3-5-18(16)14-20/h2-11,14,25H,12-13H2,1H3
InChIKeyQXCMABCITTVAKM-UHFFFAOYSA-N
MW466.56 g/mol
LogP4.58
Rot. Bonds6

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

N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]naphthalene-2-sulfonamide (PubChem CID 22584839) has the molecular formula C23H19FN4O2S2 and a molecular weight of 466.56 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]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]naphthalene-2-sulfonamide
PubChem CID22584839
Molecular FormulaC23H19FN4O2S2
Molecular Weight466.56 g/mol
Exact Mass466.09
IUPAC NameN-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]naphthalene-2-sulfonamide
SMILESCc1c(CCNS(=O)(=O)c2ccc3ccccc3c2)sc2nc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C23H19FN4O2S2/c1-15-21(31-23-26-22(27-28(15)23)17-6-9-19(24)10-7-17)12-13-25-32(29,30)20-11-8-16-4-2-3-5-18(16)14-20/h2-11,14,25H,12-13H2,1H3
InChIKeyQXCMABCITTVAKM-UHFFFAOYSA-N
XLogP4.58
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]-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
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-[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
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
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
N-[3-(ethylsulfonylamino)propyl]naphthalene-2-sulfonamide
CID 49459732

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]naphthalene-2-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]naphthalene-2-sulfonamide (CID 22584839) is N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]naphthalene-2-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]naphthalene-2-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]naphthalene-2-sulfonamide is Cc1c(CCNS(=O)(=O)c2ccc3ccccc3c2)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]naphthalene-2-sulfonamide?
The InChIKey is QXCMABCITTVAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2S2/c1-15-21(31-23-26-22(27-28(15)23)17-6-9-19(24)10-7-17)12-13-25-32(29,30)20-11-8-16-4-2-3-5-18(16)14-20/h2-11,14,25H,12-13H2,1H3.
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]naphthalene-2-sulfonamide?
N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]naphthalene-2-sulfonamide has a molecular weight of 466.56 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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]naphthalene-2-sulfonamide is sourced from PubChem (CID 22584839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).