5-benzylsulfanyl-1-(1-fluoroethyl)indazole

C16H15FN2S — CID 156875685

IUPAC5-benzylsulfanyl-1-(1-fluoroethyl)indazole
SMILESCC(F)n1ncc2cc(SCc3ccccc3)ccc21
InChIInChI=1S/C16H15FN2S/c1-12(17)19-16-8-7-15(9-14(16)10-18-19)20-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3
InChIKeyYTGRNFYJGUGTDX-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.82
Rot. Bonds4

About 5-benzylsulfanyl-1-(1-fluoroethyl)indazole

5-benzylsulfanyl-1-(1-fluoroethyl)indazole (PubChem CID 156875685) has the molecular formula C16H15FN2S and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-benzylsulfanyl-1-(1-fluoroethyl)indazole.

Molecular Properties

Compound Name5-benzylsulfanyl-1-(1-fluoroethyl)indazole
PubChem CID156875685
Molecular FormulaC16H15FN2S
Molecular Weight286.38 g/mol
Exact Mass286.09
IUPAC Name5-benzylsulfanyl-1-(1-fluoroethyl)indazole
SMILESCC(F)n1ncc2cc(SCc3ccccc3)ccc21
InChIInChI=1S/C16H15FN2S/c1-12(17)19-16-8-7-15(9-14(16)10-18-19)20-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3
InChIKeyYTGRNFYJGUGTDX-UHFFFAOYSA-N
XLogP4.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-benzylsulfanylindazol-1-yl)-5-(difluoromethyl)-1,3,4-thiadiazole
CID 169032028
1-benzylsulfanyl-4-(difluoromethyl)benzene
CID 139404408
6-benzylsulfanyl-1-ethylphthalazine
CID 174867586
(1R)-1-(4-benzylsulfanyl-2-bromophenyl)ethanamine
CID 114069502
1-benzylsulfanyl-4-methylsulfanylbenzene
CID 13058449
1-benzylsulfanyl-4-methylbenzene
CID 10940369
5-benzylsulfanyl-3-bromo-2-(difluoromethyl)pyridine;propane
CID 144706546
2-benzylsulfanyl-4,6-dimethylpyrimidine
CID 716895
4-benzylsulfanyl-1-(2,2-difluoroethyl)-5-methylpyrazole
CID 164931938
4-benzylsulfanyl-2-propan-2-yloxyaniline
CID 83002704
5-benzylsulfanyl-N'-(2,2-difluoroacetyl)-7-fluoropyrazolo[1,5-a]pyridine-3-carbohydrazide
CID 178144375
3-benzylsulfanyl-5-methylpyridine
CID 58349834

Frequently Asked Questions

What is the IUPAC name of 5-benzylsulfanyl-1-(1-fluoroethyl)indazole?
The IUPAC name of 5-benzylsulfanyl-1-(1-fluoroethyl)indazole (CID 156875685) is 5-benzylsulfanyl-1-(1-fluoroethyl)indazole.
What is the SMILES notation for 5-benzylsulfanyl-1-(1-fluoroethyl)indazole?
The canonical SMILES for 5-benzylsulfanyl-1-(1-fluoroethyl)indazole is CC(F)n1ncc2cc(SCc3ccccc3)ccc21.
What is the InChIKey of 5-benzylsulfanyl-1-(1-fluoroethyl)indazole?
The InChIKey is YTGRNFYJGUGTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2S/c1-12(17)19-16-8-7-15(9-14(16)10-18-19)20-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3.
What are the key properties of 5-benzylsulfanyl-1-(1-fluoroethyl)indazole?
5-benzylsulfanyl-1-(1-fluoroethyl)indazole has a molecular weight of 286.38 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylsulfanyl-1-(1-fluoroethyl)indazole is sourced from PubChem (CID 156875685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).