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

C18H14ClFN4O2S2 — CID 22584379

IUPAC3-chloro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1csc2nc(-c3ccc(F)cc3)nn12)c1cccc(Cl)c1
InChIInChI=1S/C18H14ClFN4O2S2/c19-13-2-1-3-16(10-13)28(25,26)21-9-8-15-11-27-18-22-17(23-24(15)18)12-4-6-14(20)7-5-12/h1-7,10-11,21H,8-9H2
InChIKeyLGYHHWDDSYYEHV-UHFFFAOYSA-N
MW436.92 g/mol
LogP3.77
Rot. Bonds6

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

3-chloro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide (PubChem CID 22584379) has the molecular formula C18H14ClFN4O2S2 and a molecular weight of 436.92 g/mol. Its IUPAC name is 3-chloro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide
PubChem CID22584379
Molecular FormulaC18H14ClFN4O2S2
Molecular Weight436.92 g/mol
Exact Mass436.02
IUPAC Name3-chloro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1csc2nc(-c3ccc(F)cc3)nn12)c1cccc(Cl)c1
InChIInChI=1S/C18H14ClFN4O2S2/c19-13-2-1-3-16(10-13)28(25,26)21-9-8-15-11-27-18-22-17(23-24(15)18)12-4-6-14(20)7-5-12/h1-7,10-11,21H,8-9H2
InChIKeyLGYHHWDDSYYEHV-UHFFFAOYSA-N
XLogP3.77
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.92
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide (CID 22584379) is 3-chloro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide is O=S(=O)(NCCc1csc2nc(-c3ccc(F)cc3)nn12)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide?
The InChIKey is LGYHHWDDSYYEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O2S2/c19-13-2-1-3-16(10-13)28(25,26)21-9-8-15-11-27-18-22-17(23-24(15)18)12-4-6-14(20)7-5-12/h1-7,10-11,21H,8-9H2.
What are the key properties of 3-chloro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide?
3-chloro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide has a molecular weight of 436.92 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 22584379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).