5-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-indazole

C21H14FN3O2S — CID 118382638

IUPAC5-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-indazole
SMILESO=S(=O)(c1ccccc1)n1cc(-c2ccc3[nH]ncc3c2)c2ccc(F)cc21
InChIInChI=1S/C21H14FN3O2S/c22-16-7-8-18-19(14-6-9-20-15(10-14)12-23-24-20)13-25(21(18)11-16)28(26,27)17-4-2-1-3-5-17/h1-13H,(H,23,24)
InChIKeyAHRQEDMHEMYFLM-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.56
Rot. Bonds3

About 5-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-indazole

5-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-indazole (PubChem CID 118382638) has the molecular formula C21H14FN3O2S and a molecular weight of 391.43 g/mol. Its IUPAC name is 5-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-indazole.

Molecular Properties

Compound Name5-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-indazole
PubChem CID118382638
Molecular FormulaC21H14FN3O2S
Molecular Weight391.43 g/mol
Exact Mass391.08
IUPAC Name5-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-indazole
SMILESO=S(=O)(c1ccccc1)n1cc(-c2ccc3[nH]ncc3c2)c2ccc(F)cc21
InChIInChI=1S/C21H14FN3O2S/c22-16-7-8-18-19(14-6-9-20-15(10-14)12-23-24-20)13-25(21(18)11-16)28(26,27)17-4-2-1-3-5-17/h1-13H,(H,23,24)
InChIKeyAHRQEDMHEMYFLM-UHFFFAOYSA-N
XLogP4.56
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-indazole?
The IUPAC name of 5-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-indazole (CID 118382638) is 5-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-indazole.
What is the SMILES notation for 5-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-indazole?
The canonical SMILES for 5-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-indazole is O=S(=O)(c1ccccc1)n1cc(-c2ccc3[nH]ncc3c2)c2ccc(F)cc21.
What is the InChIKey of 5-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-indazole?
The InChIKey is AHRQEDMHEMYFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN3O2S/c22-16-7-8-18-19(14-6-9-20-15(10-14)12-23-24-20)13-25(21(18)11-16)28(26,27)17-4-2-1-3-5-17/h1-13H,(H,23,24).
What are the key properties of 5-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-indazole?
5-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-indazole has a molecular weight of 391.43 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(benzenesulfonyl)-6-fluoroindol-3-yl]-1H-indazole is sourced from PubChem (CID 118382638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).