3-[5-(4-chlorophenyl)tetrazol-1-yl]thiolane 1,1-dioxide

C11H11ClN4O2S — CID 2941593

IUPAC3-[5-(4-chlorophenyl)tetrazol-1-yl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(n2nnnc2-c2ccc(Cl)cc2)C1
InChIInChI=1S/C11H11ClN4O2S/c12-9-3-1-8(2-4-9)11-13-14-15-16(11)10-5-6-19(17,18)7-10/h1-4,10H,5-7H2
InChIKeyXEUZPESYQHMTFX-UHFFFAOYSA-N
MW298.75 g/mol
LogP1.35
Rot. Bonds2

About 3-[5-(4-chlorophenyl)tetrazol-1-yl]thiolane 1,1-dioxide

3-[5-(4-chlorophenyl)tetrazol-1-yl]thiolane 1,1-dioxide (PubChem CID 2941593) has the molecular formula C11H11ClN4O2S and a molecular weight of 298.75 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)tetrazol-1-yl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)tetrazol-1-yl]thiolane 1,1-dioxide
PubChem CID2941593
Molecular FormulaC11H11ClN4O2S
Molecular Weight298.75 g/mol
Exact Mass298.03
IUPAC Name3-[5-(4-chlorophenyl)tetrazol-1-yl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(n2nnnc2-c2ccc(Cl)cc2)C1
InChIInChI=1S/C11H11ClN4O2S/c12-9-3-1-8(2-4-9)11-13-14-15-16(11)10-5-6-19(17,18)7-10/h1-4,10H,5-7H2
InChIKeyXEUZPESYQHMTFX-UHFFFAOYSA-N
XLogP1.35
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)tetrazol-1-yl]thiolane 1,1-dioxide?
The IUPAC name of 3-[5-(4-chlorophenyl)tetrazol-1-yl]thiolane 1,1-dioxide (CID 2941593) is 3-[5-(4-chlorophenyl)tetrazol-1-yl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[5-(4-chlorophenyl)tetrazol-1-yl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[5-(4-chlorophenyl)tetrazol-1-yl]thiolane 1,1-dioxide is O=S1(=O)CCC(n2nnnc2-c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-[5-(4-chlorophenyl)tetrazol-1-yl]thiolane 1,1-dioxide?
The InChIKey is XEUZPESYQHMTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2S/c12-9-3-1-8(2-4-9)11-13-14-15-16(11)10-5-6-19(17,18)7-10/h1-4,10H,5-7H2.
What are the key properties of 3-[5-(4-chlorophenyl)tetrazol-1-yl]thiolane 1,1-dioxide?
3-[5-(4-chlorophenyl)tetrazol-1-yl]thiolane 1,1-dioxide has a molecular weight of 298.75 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)tetrazol-1-yl]thiolane 1,1-dioxide is sourced from PubChem (CID 2941593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).