3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one

C11H9ClN4O2S — CID 2967209

IUPAC3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one
SMILESO=C1OCCC1Sc1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClN4O2S/c12-7-1-3-8(4-2-7)16-11(13-14-15-16)19-9-5-6-18-10(9)17/h1-4,9H,5-6H2
InChIKeyIEQHELXLNVQJTD-UHFFFAOYSA-N
MW296.74 g/mol
LogP1.72
Rot. Bonds3

About 3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one

3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one (PubChem CID 2967209) has the molecular formula C11H9ClN4O2S and a molecular weight of 296.74 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one
PubChem CID2967209
Molecular FormulaC11H9ClN4O2S
Molecular Weight296.74 g/mol
Exact Mass296.01
IUPAC Name3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one
SMILESO=C1OCCC1Sc1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClN4O2S/c12-7-1-3-8(4-2-7)16-11(13-14-15-16)19-9-5-6-18-10(9)17/h1-4,9H,5-6H2
InChIKeyIEQHELXLNVQJTD-UHFFFAOYSA-N
XLogP1.72
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.74
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one?
The IUPAC name of 3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one (CID 2967209) is 3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one.
What is the SMILES notation for 3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one?
The canonical SMILES for 3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one is O=C1OCCC1Sc1nnnn1-c1ccc(Cl)cc1.
What is the InChIKey of 3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one?
The InChIKey is IEQHELXLNVQJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O2S/c12-7-1-3-8(4-2-7)16-11(13-14-15-16)19-9-5-6-18-10(9)17/h1-4,9H,5-6H2.
What are the key properties of 3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one?
3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one has a molecular weight of 296.74 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyloxolan-2-one is sourced from PubChem (CID 2967209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).