1-(4-fluorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone

C15H11FN4O2S — CID 2809808

IUPAC1-(4-fluorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone
SMILESO=C(CSc1nnnn1-c1ccc(O)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H11FN4O2S/c16-11-3-1-10(2-4-11)14(22)9-23-15-17-18-19-20(15)12-5-7-13(21)8-6-12/h1-8,21H,9H2
InChIKeyWROGOTHXLJWPOD-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.48
Rot. Bonds5

About 1-(4-fluorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone

1-(4-fluorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone (PubChem CID 2809808) has the molecular formula C15H11FN4O2S and a molecular weight of 330.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone
PubChem CID2809808
Molecular FormulaC15H11FN4O2S
Molecular Weight330.34 g/mol
Exact Mass330.06
IUPAC Name1-(4-fluorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone
SMILESO=C(CSc1nnnn1-c1ccc(O)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H11FN4O2S/c16-11-3-1-10(2-4-11)14(22)9-23-15-17-18-19-20(15)12-5-7-13(21)8-6-12/h1-8,21H,9H2
InChIKeyWROGOTHXLJWPOD-UHFFFAOYSA-N
XLogP2.48
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone (CID 2809808) is 1-(4-fluorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone is O=C(CSc1nnnn1-c1ccc(O)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone?
The InChIKey is WROGOTHXLJWPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O2S/c16-11-3-1-10(2-4-11)14(22)9-23-15-17-18-19-20(15)12-5-7-13(21)8-6-12/h1-8,21H,9H2.
What are the key properties of 1-(4-fluorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone?
1-(4-fluorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone has a molecular weight of 330.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone is sourced from PubChem (CID 2809808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).