4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonyl-2H-benzotriazole

C22H14FN3O2S — CID 165351153

IUPAC4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonyl-2H-benzotriazole
SMILESO=S(=O)(c1ccc2cc(-c3ccc(F)cc3)ccc2c1)c1cccc2n[nH]nc12
InChIInChI=1S/C22H14FN3O2S/c23-18-9-6-14(7-10-18)15-4-5-17-13-19(11-8-16(17)12-15)29(27,28)21-3-1-2-20-22(21)25-26-24-20/h1-13H,(H,24,25,26)
InChIKeyGFDIUIZLZITKLO-UHFFFAOYSA-N
MW403.44 g/mol
LogP4.75
Rot. Bonds3

About 4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonyl-2H-benzotriazole

4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonyl-2H-benzotriazole (PubChem CID 165351153) has the molecular formula C22H14FN3O2S and a molecular weight of 403.44 g/mol. Its IUPAC name is 4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonyl-2H-benzotriazole.

Molecular Properties

Compound Name4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonyl-2H-benzotriazole
PubChem CID165351153
Molecular FormulaC22H14FN3O2S
Molecular Weight403.44 g/mol
Exact Mass403.08
IUPAC Name4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonyl-2H-benzotriazole
SMILESO=S(=O)(c1ccc2cc(-c3ccc(F)cc3)ccc2c1)c1cccc2n[nH]nc12
InChIInChI=1S/C22H14FN3O2S/c23-18-9-6-14(7-10-18)15-4-5-17-13-19(11-8-16(17)12-15)29(27,28)21-3-1-2-20-22(21)25-26-24-20/h1-13H,(H,24,25,26)
InChIKeyGFDIUIZLZITKLO-UHFFFAOYSA-N
XLogP4.75
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonyl-2H-benzotriazole?
The IUPAC name of 4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonyl-2H-benzotriazole (CID 165351153) is 4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonyl-2H-benzotriazole.
What is the SMILES notation for 4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonyl-2H-benzotriazole?
The canonical SMILES for 4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonyl-2H-benzotriazole is O=S(=O)(c1ccc2cc(-c3ccc(F)cc3)ccc2c1)c1cccc2n[nH]nc12.
What is the InChIKey of 4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonyl-2H-benzotriazole?
The InChIKey is GFDIUIZLZITKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FN3O2S/c23-18-9-6-14(7-10-18)15-4-5-17-13-19(11-8-16(17)12-15)29(27,28)21-3-1-2-20-22(21)25-26-24-20/h1-13H,(H,24,25,26).
What are the key properties of 4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonyl-2H-benzotriazole?
4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonyl-2H-benzotriazole has a molecular weight of 403.44 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonyl-2H-benzotriazole is sourced from PubChem (CID 165351153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).