2-[2-(benzenesulfonyl)ethyl]-5-phenyltetrazole

C15H14N4O2S — CID 60592759

IUPAC2-[2-(benzenesulfonyl)ethyl]-5-phenyltetrazole
SMILESO=S(=O)(CCn1nnc(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C15H14N4O2S/c20-22(21,14-9-5-2-6-10-14)12-11-19-17-15(16-18-19)13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKeyZTCZGKPDZZCENY-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.81
Rot. Bonds5

About 2-[2-(benzenesulfonyl)ethyl]-5-phenyltetrazole

2-[2-(benzenesulfonyl)ethyl]-5-phenyltetrazole (PubChem CID 60592759) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-[2-(benzenesulfonyl)ethyl]-5-phenyltetrazole.

Molecular Properties

Compound Name2-[2-(benzenesulfonyl)ethyl]-5-phenyltetrazole
PubChem CID60592759
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name2-[2-(benzenesulfonyl)ethyl]-5-phenyltetrazole
SMILESO=S(=O)(CCn1nnc(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C15H14N4O2S/c20-22(21,14-9-5-2-6-10-14)12-11-19-17-15(16-18-19)13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKeyZTCZGKPDZZCENY-UHFFFAOYSA-N
XLogP1.81
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonyl)ethyl]-5-phenyltetrazole?
The IUPAC name of 2-[2-(benzenesulfonyl)ethyl]-5-phenyltetrazole (CID 60592759) is 2-[2-(benzenesulfonyl)ethyl]-5-phenyltetrazole.
What is the SMILES notation for 2-[2-(benzenesulfonyl)ethyl]-5-phenyltetrazole?
The canonical SMILES for 2-[2-(benzenesulfonyl)ethyl]-5-phenyltetrazole is O=S(=O)(CCn1nnc(-c2ccccc2)n1)c1ccccc1.
What is the InChIKey of 2-[2-(benzenesulfonyl)ethyl]-5-phenyltetrazole?
The InChIKey is ZTCZGKPDZZCENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c20-22(21,14-9-5-2-6-10-14)12-11-19-17-15(16-18-19)13-7-3-1-4-8-13/h1-10H,11-12H2.
What are the key properties of 2-[2-(benzenesulfonyl)ethyl]-5-phenyltetrazole?
2-[2-(benzenesulfonyl)ethyl]-5-phenyltetrazole has a molecular weight of 314.37 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonyl)ethyl]-5-phenyltetrazole is sourced from PubChem (CID 60592759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).