5-benzylsulfonyl-1-phenyltetrazole

C14H12N4O2S — CID 6618807

IUPAC5-benzylsulfonyl-1-phenyltetrazole
SMILESO=S(=O)(Cc1ccccc1)c1nnnn1-c1ccccc1
InChIInChI=1S/C14H12N4O2S/c19-21(20,11-12-7-3-1-4-8-12)14-15-16-17-18(14)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyOSGGKOOYEDWDJN-UHFFFAOYSA-N
MW300.34 g/mol
LogP1.64
Rot. Bonds4

About 5-benzylsulfonyl-1-phenyltetrazole

5-benzylsulfonyl-1-phenyltetrazole (PubChem CID 6618807) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 5-benzylsulfonyl-1-phenyltetrazole.

Molecular Properties

Compound Name5-benzylsulfonyl-1-phenyltetrazole
PubChem CID6618807
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name5-benzylsulfonyl-1-phenyltetrazole
SMILESO=S(=O)(Cc1ccccc1)c1nnnn1-c1ccccc1
InChIInChI=1S/C14H12N4O2S/c19-21(20,11-12-7-3-1-4-8-12)14-15-16-17-18(14)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyOSGGKOOYEDWDJN-UHFFFAOYSA-N
XLogP1.64
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-benzylsulfonyl-1-phenyltetrazole?
The IUPAC name of 5-benzylsulfonyl-1-phenyltetrazole (CID 6618807) is 5-benzylsulfonyl-1-phenyltetrazole.
What is the SMILES notation for 5-benzylsulfonyl-1-phenyltetrazole?
The canonical SMILES for 5-benzylsulfonyl-1-phenyltetrazole is O=S(=O)(Cc1ccccc1)c1nnnn1-c1ccccc1.
What is the InChIKey of 5-benzylsulfonyl-1-phenyltetrazole?
The InChIKey is OSGGKOOYEDWDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c19-21(20,11-12-7-3-1-4-8-12)14-15-16-17-18(14)13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of 5-benzylsulfonyl-1-phenyltetrazole?
5-benzylsulfonyl-1-phenyltetrazole has a molecular weight of 300.34 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylsulfonyl-1-phenyltetrazole is sourced from PubChem (CID 6618807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).